2-Hydroxy-7,8-dihydro-5(6H)-quinolinone

HCID 267450

Notes Reactions

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Basic information

CAS: 15450-69-8
Standard SMILES: O=C1CCCc2[nH]c(=O)ccc21
InChIKey: AUMQUQJTKCJMPA-UHFFFAOYSA-N
Molecular formula: C9H9NO2
Average molar mass: 163.17 g/mol
Monoisotopic mass: 163.06332853

Names & identifiers

Preferred name: 2-Hydroxy-7,8-dihydro-5(6H)-quinolinone
IUPAC: 1,6,7,8-tetrahydroquinoline-2,5-dione
English name: 1,2,5,6,7,8-HEXAHYDROQUINOLINE-2,5-DIONE
Molecular formula: C9H9NO2
Molecular weight: 163.17

Names & synonyms

15450-69-87,8-dihydroquinoline-2,5(1h,6h)-dione1,2,5,6,7,8-Hexahydroquinoline-2,5-dione7,8-Dihydro-2,5(1H,6H)-quinolinedione7,8-Dihydro-1H,6H-quinoline-2,5-dione2-Hydroxy-7,8-dihydro-5(6H)-quinolinone2,5(1H,6H)-Quinolinedione, 7,8-dihydro-517NCY12U7NSC 106699NSC-106699UNII-517NCY12U7DTXSID00165648

Show more names

7,8-dihydroquinolinIFLAB-BB F0797-00737,8-DIHYDROQUINOLINE-2,5(1H,6H) -DIONE2-HYDROXY-7,8-DIHYDRO-6H-QUINOLIN-5-ONE1,2,5,6,7,8-HEXAHYDROQINOLINE-2,5-DIONE

SF 392-HYDROXY-5,6,7,8-TETRAHYDROQUINOLIN-5-ONE1,2,5,6,7,8-HEXAHYDRO-2,5-DIOXOQUINOLINERefChem:87471DTXCID4088139829-323-21,6,7,8-tetrahydroquinoline-2,5-dione2-HYDROXY-7,8-DIHYDROQUINOLIN-5(6H)-ONE

Database identifiers

CAS: 15450-69-8
PubChem CID: 267450
DTXSID: DTXSID00165648
ChEMBL: CHEMBL310732
UNII: 517NCY12U7
EC Number: 829-323-2
Nikkaji: J558.053F

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 312

Physicochemical properties

Melting point: 294 °C · 294 °C(Solv: ethanol (64-17-5))
Boiling point: 412.3 · 412.3±38.0 °C(Predicted)
Density: 1.27 · 1.27±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: Solid
pka: 10.75 · 10.75±0.20(Predicted)
InChI: InChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h4-5H,1-3H2,(H,10,12)
InChIKey: AUMQUQJTKCJMPA-UHFFFAOYSA-N
SMILES: N1C2=C(C(=O)CCC2)C=CC1=O
FDA UNII: 517 NCY12U7 · 517NCY12U7
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses2-Hydroxy-7,8-dihydroquinolin-5(6H)-one is a useful research chemical.

Upstream & downstream products

Downstream products

5-HYDROXY-2(1H)-QUINOLINONE

Suppliers94 total

上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

Related reactions

35 records

New reaction record

HRID 202966As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 295473As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 806736As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 827089As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 832287As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 875301As productuspto-grants-2015_03

HRID 875302As reactantuspto-grants-2015_03

HRID 948270As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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