3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one

C18H15NO3 — CID 4609633

IUPAC3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one
SMILESCOc1cccc(C(=O)c2c[nH]c3ccc(C)cc3c2=O)c1
InChIInChI=1S/C18H15NO3/c1-11-6-7-16-14(8-11)18(21)15(10-19-16)17(20)12-4-3-5-13(9-12)22-2/h3-10H,1-2H3,(H,19,21)
InChIKeyFRNBCBWRXIARHF-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.08
Rot. Bonds3

About 3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one

3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one (PubChem CID 4609633) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one
PubChem CID4609633
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one
SMILESCOc1cccc(C(=O)c2c[nH]c3ccc(C)cc3c2=O)c1
InChIInChI=1S/C18H15NO3/c1-11-6-7-16-14(8-11)18(21)15(10-19-16)17(20)12-4-3-5-13(9-12)22-2/h3-10H,1-2H3,(H,19,21)
InChIKeyFRNBCBWRXIARHF-UHFFFAOYSA-N
XLogP3.08
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one
CID 4609629
(5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone
CID 43162092
6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
CID 42585812
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
6-methoxy-N-(4-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831865
6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one
CID 22423707
N-(2,6-dimethylquinolin-4-yl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831819
6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one
CID 53337333
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
3-benzoyl-6-ethoxy-1H-quinolin-4-one
CID 4605296
3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one
CID 53337347
(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 80649082

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one?
The IUPAC name of 3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one (CID 4609633) is 3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one is COc1cccc(C(=O)c2c[nH]c3ccc(C)cc3c2=O)c1.
What is the InChIKey of 3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one?
The InChIKey is FRNBCBWRXIARHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-6-7-16-14(8-11)18(21)15(10-19-16)17(20)12-4-3-5-13(9-12)22-2/h3-10H,1-2H3,(H,19,21).
What are the key properties of 3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one?
3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one has a molecular weight of 293.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 4609633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).