5-Amino-1,2-dihydroquinolin-2-one

HCID 15719078CAS 61317-32-6

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1cccc2[nH]c(=O)ccc12
InChIKey: DANDEJPAZFBPAS-UHFFFAOYSA-N
Molecular formula: C9H8N2O
Average molar mass: 160.17 g/mol
Monoisotopic mass: 160.06366288

Names & identifiers

Preferred name: 5-Amino-1,2-dihydroquinolin-2-one
IUPAC: 5-amino-1H-quinolin-2-one
English name: 5-Amino-2(1H)-quinolinone
Molecular formula: C9H8N2O
Molecular weight: 160.17

Names & synonyms

5-amino-1,2-dihydroquinolin-2-oneRefChem:531937848-650-15-Aminoquinolin-2(1H)-one61317-32-65-Amino-1H-quinolin-2-one5-AMINO-2(1H)-QUINOLINONEMFCD137054215-aminoquinolone5-amino-2-oxo-1,2-dihydroquinoline2(1H)-Quinolinone, 5-amino-5-aminoquinolin-2[1H]-one

Show more names

5-aminoquinolin-2-ol

5-Amino-1H-quinolin-2-one; 5-Amino-2-quinolone; 5-Aminocarbostyril; 5-Amino-2(1H)-quinolinone;5-Amino-2-quinolone5-aminoquinolin-2(1H)one5-Aminoquinolin-2(1H)-onSCHEMBL3328865-amino-quinolin-2(1H)-one5-Amino quinolin-2(1H)-oneCHEMBL4635209

Database identifiers

CAS: 61317-32-6
PubChem CID: 15719078
DTXSID: DTXSID80577341
ChEMBL: CHEMBL4635209
EC Number: 848-650-1
Nikkaji: J90.144J

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 225

Physicochemical properties

Boiling point: 416.7 · 416.7±45.0 °C(Predicted)
Density: 1.287 · 1.287±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 11.42 · 11.42±0.70(Predicted)
Appearance: Light yellow to light brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety data

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

Chemistry & industry

Applications

Uses5-Aminoquinolin-2(1H)-one is an intermediate in the synthesis of orally available transient receptor potential vanilloid 1 (TRPV1) antagonists.