3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one

C25H21NO4 — CID 166439485

IUPAC3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one
SMILESCOc1cc2[nH]cc(C(=O)c3ccccc3Cc3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C25H21NO4/c1-29-22-13-19-21(14-23(22)30-2)26-15-20(25(19)28)24(27)18-11-7-6-10-17(18)12-16-8-4-3-5-9-16/h3-11,13-15H,12H2,1-2H3,(H,26,28)
InChIKeyWJTQZTBIDWOICV-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.37
Rot. Bonds6

About 3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one

3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one (PubChem CID 166439485) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one
PubChem CID166439485
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one
SMILESCOc1cc2[nH]cc(C(=O)c3ccccc3Cc3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C25H21NO4/c1-29-22-13-19-21(14-23(22)30-2)26-15-20(25(19)28)24(27)18-11-7-6-10-17(18)12-16-8-4-3-5-9-16/h3-11,13-15H,12H2,1-2H3,(H,26,28)
InChIKeyWJTQZTBIDWOICV-UHFFFAOYSA-N
XLogP4.37
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one
CID 53337333
ethyl 7-methoxy-6-[2-(2-methylphenyl)ethoxy]-4-oxo-1H-quinoline-3-carboxylate
CID 25105443
3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one
CID 53337347
6-[(3-chloro-2-fluorophenyl)methyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxylic acid;ethanol;propane
CID 144566342
(4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone
CID 113206938
(Z)-2-(5,6-dimethoxy-1H-indol-3-yl)-3-(1H-indol-3-yl)but-2-enedioic acid
CID 22410568
5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
CID 113206946
6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
CID 118451648
N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206966
6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one
CID 141107411
2-chloro-1-(5,6-dimethoxy-1H-indol-3-yl)ethanone
CID 907553
tert-butyl 2-[(7-benzyl-6-bromo-4-oxo-1H-quinoline-3-carbonyl)amino]acetate
CID 118578563

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one?
The IUPAC name of 3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one (CID 166439485) is 3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one?
The canonical SMILES for 3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one is COc1cc2[nH]cc(C(=O)c3ccccc3Cc3ccccc3)c(=O)c2cc1OC.
What is the InChIKey of 3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one?
The InChIKey is WJTQZTBIDWOICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c1-29-22-13-19-21(14-23(22)30-2)26-15-20(25(19)28)24(27)18-11-7-6-10-17(18)12-16-8-4-3-5-9-16/h3-11,13-15H,12H2,1-2H3,(H,26,28).
What are the key properties of 3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one?
3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one has a molecular weight of 399.45 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one is sourced from PubChem (CID 166439485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).