3-(4-Methoxy-3-methyl-benzoyl)-1H-quinolin-4-one

HCID 57754758

Notes Reactions

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Basic information

CAS: 937267-34-0
Standard SMILES: COc1ccc(C(=O)c2c[nH]c3ccccc3c2=O)cc1C
InChIKey: XFIFYVXHEGKYML-UHFFFAOYSA-N
Molecular formula: C18H15NO3
Average molar mass: 293.3 g/mol
Monoisotopic mass: 293.10519334

Names & identifiers

Preferred name: 3-(4-Methoxy-3-methyl-benzoyl)-1H-quinolin-4-one
IUPAC: 3-(4-methoxy-3-methylbenzoyl)-1H-quinolin-4-one

Names & synonyms

3-(4-Methoxy-3-methyl-benzoyl)-1H-quinolin-4-oneSCHEMBL1074422XFIFYVXHEGKYML-UHFFFAOYSA-NDTXSID401244572937267-34-03-(4-Methoxy-3-methylbenzoyl)-4(1H)-quinolinone3-(4-Methoxy-3-methylbenzoyl)quinolin-4(1H)-one

Database identifiers

CAS: 937267-34-0
PubChem CID: 57754758
DTXSID: DTXSID401244572

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 485

Related reactions

7 records

New reaction record

HRID 227004As productuspto-grants-2009_07

HRID 227005As reactantuspto-grants-2009_07

HRID 227006As reactantuspto-grants-2009_07

HRID 227007As reactantuspto-grants-2009_07

HRID 295878As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 318554As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1119216As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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