N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide

C30H30N2O5 — CID 16825384

IUPACN-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
SMILESCCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(OC)c(OC)c3)c3ccc(CC)cc3c2=O)cc1
InChIInChI=1S/C30H30N2O5/c1-5-19-7-10-21(11-8-19)29(34)24-17-32(25-13-9-20(6-2)15-23(25)30(24)35)18-28(33)31-22-12-14-26(36-3)27(16-22)37-4/h7-17H,5-6,18H2,1-4H3,(H,31,33)
InChIKeyRFFZPVOCFUCTOV-UHFFFAOYSA-N
MW498.58 g/mol
LogP5.01
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide

N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide (PubChem CID 16825384) has the molecular formula C30H30N2O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
PubChem CID16825384
Molecular FormulaC30H30N2O5
Molecular Weight498.58 g/mol
Exact Mass498.22
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
SMILESCCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(OC)c(OC)c3)c3ccc(CC)cc3c2=O)cc1
InChIInChI=1S/C30H30N2O5/c1-5-19-7-10-21(11-8-19)29(34)24-17-32(25-13-9-20(6-2)15-23(25)30(24)35)18-28(33)31-22-12-14-26(36-3)27(16-22)37-4/h7-17H,5-6,18H2,1-4H3,(H,31,33)
InChIKeyRFFZPVOCFUCTOV-UHFFFAOYSA-N
XLogP5.01
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide 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

2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560579
N-(4-chlorophenyl)-2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2141192
2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2136553
2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20868848
2-(3-benzoyl-6-methoxy-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 20868843
2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18560394
N-(3,4-difluorophenyl)-2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
CID 2136558
2-(3-benzoyl-6-ethyl-4-oxoquinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16825289
2-[6-chloro-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
CID 18560233
2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 16825368
2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16825329
N-(1,3-benzodioxol-5-yl)-2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 18560350

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide (CID 16825384) is N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide is CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(OC)c(OC)c3)c3ccc(CC)cc3c2=O)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide?
The InChIKey is RFFZPVOCFUCTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O5/c1-5-19-7-10-21(11-8-19)29(34)24-17-32(25-13-9-20(6-2)15-23(25)30(24)35)18-28(33)31-22-12-14-26(36-3)27(16-22)37-4/h7-17H,5-6,18H2,1-4H3,(H,31,33).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide has a molecular weight of 498.58 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 16825384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).