2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide

C29H28N2O8 — CID 20868848

IUPAC2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(OC)c(OC)c3)c3cc(OC)c(OC)cc3c2=O)cc1
InChIInChI=1S/C29H28N2O8/c1-35-19-9-6-17(7-10-19)28(33)21-15-31(22-14-26(39-5)25(38-4)13-20(22)29(21)34)16-27(32)30-18-8-11-23(36-2)24(12-18)37-3/h6-15H,16H2,1-5H3,(H,30,32)
InChIKeyHPVHDQWUIOLYMZ-UHFFFAOYSA-N
MW532.55 g/mol
LogP3.91
Rot. Bonds10

About 2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide

2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 20868848) has the molecular formula C29H28N2O8 and a molecular weight of 532.55 g/mol. Its IUPAC name is 2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID20868848
Molecular FormulaC29H28N2O8
Molecular Weight532.55 g/mol
Exact Mass532.18
IUPAC Name2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(OC)c(OC)c3)c3cc(OC)c(OC)cc3c2=O)cc1
InChIInChI=1S/C29H28N2O8/c1-35-19-9-6-17(7-10-19)28(33)21-15-31(22-14-26(39-5)25(38-4)13-20(22)29(21)34)16-27(32)30-18-8-11-23(36-2)24(12-18)37-3/h6-15H,16H2,1-5H3,(H,30,32)
InChIKeyHPVHDQWUIOLYMZ-UHFFFAOYSA-N
XLogP3.91
TPSA114.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide with MolForge

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Related Compounds

2-(3-benzoyl-6-methoxy-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 20868843
N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825384
N-(4-ethoxyphenyl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 20868855
2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18560394
2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2136553
N-(4-chlorophenyl)-2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2141192
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2138160
2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 53000739
N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2136501
2-[6-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53000689
2-[8-(4-methoxybenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 2136005
2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 18560102

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (CID 20868848) is 2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(OC)c(OC)c3)c3cc(OC)c(OC)cc3c2=O)cc1.
What is the InChIKey of 2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is HPVHDQWUIOLYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O8/c1-35-19-9-6-17(7-10-19)28(33)21-15-31(22-14-26(39-5)25(38-4)13-20(22)29(21)34)16-27(32)30-18-8-11-23(36-2)24(12-18)37-3/h6-15H,16H2,1-5H3,(H,30,32).
What are the key properties of 2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 532.55 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 20868848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).