2-(4-methoxybenzoyl)-1-methylquinolin-4-one

C18H15NO3 — CID 15733027

IUPAC2-(4-methoxybenzoyl)-1-methylquinolin-4-one
SMILESCOc1ccc(C(=O)c2cc(=O)c3ccccc3n2C)cc1
InChIInChI=1S/C18H15NO3/c1-19-15-6-4-3-5-14(15)17(20)11-16(19)18(21)12-7-9-13(22-2)10-8-12/h3-11H,1-2H3
InChIKeySFHXOPHOMAGHEF-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.78
Rot. Bonds3

About 2-(4-methoxybenzoyl)-1-methylquinolin-4-one

2-(4-methoxybenzoyl)-1-methylquinolin-4-one (PubChem CID 15733027) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(4-methoxybenzoyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name2-(4-methoxybenzoyl)-1-methylquinolin-4-one
PubChem CID15733027
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-(4-methoxybenzoyl)-1-methylquinolin-4-one
SMILESCOc1ccc(C(=O)c2cc(=O)c3ccccc3n2C)cc1
InChIInChI=1S/C18H15NO3/c1-19-15-6-4-3-5-14(15)17(20)11-16(19)18(21)12-7-9-13(22-2)10-8-12/h3-11H,1-2H3
InChIKeySFHXOPHOMAGHEF-UHFFFAOYSA-N
XLogP2.78
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid
CID 82243051
(4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone
CID 67575174
9-methoxy-5-methylcyclohepta[b]indol-6-one
CID 10561977
(4-fluorophenyl)-(1-methylindol-2-yl)methanone
CID 10377568
4-(4-methoxybenzoyl)-1H-quinazolin-2-one
CID 134117292
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096
1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid
CID 82251488
1-butyl-3-(4-methoxybenzoyl)quinolin-4-one
CID 23634666
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
methyl 1-fluoro-4-oxoquinoline-2-carboxylate
CID 141116592
3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one
CID 166439002
2-[[5-(4-methoxybenzoyl)-1-methylpyrrol-2-yl]methyl]benzonitrile
CID 140996318

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybenzoyl)-1-methylquinolin-4-one?
The IUPAC name of 2-(4-methoxybenzoyl)-1-methylquinolin-4-one (CID 15733027) is 2-(4-methoxybenzoyl)-1-methylquinolin-4-one.
What is the SMILES notation for 2-(4-methoxybenzoyl)-1-methylquinolin-4-one?
The canonical SMILES for 2-(4-methoxybenzoyl)-1-methylquinolin-4-one is COc1ccc(C(=O)c2cc(=O)c3ccccc3n2C)cc1.
What is the InChIKey of 2-(4-methoxybenzoyl)-1-methylquinolin-4-one?
The InChIKey is SFHXOPHOMAGHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-19-15-6-4-3-5-14(15)17(20)11-16(19)18(21)12-7-9-13(22-2)10-8-12/h3-11H,1-2H3.
What are the key properties of 2-(4-methoxybenzoyl)-1-methylquinolin-4-one?
2-(4-methoxybenzoyl)-1-methylquinolin-4-one has a molecular weight of 293.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybenzoyl)-1-methylquinolin-4-one is sourced from PubChem (CID 15733027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).