(4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C22H26N2O4 — CID 9430047

IUPAC(4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCCCc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C22H26N2O4/c1-4-5-6-14-7-9-15(10-8-14)23-22(26)17-12-21(25)24-18-13-20(28-3)19(27-2)11-16(17)18/h7-11,13,17H,4-6,12H2,1-3H3,(H,23,26)(H,24,25)/t17-/m0/s1
InChIKeyLNTUVPYUBOYONX-KRWDZBQOSA-N
MW382.46 g/mol
LogP4.11
Rot. Bonds7

About (4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 9430047) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is (4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID9430047
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name(4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCCCc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C22H26N2O4/c1-4-5-6-14-7-9-15(10-8-14)23-22(26)17-12-21(25)24-18-13-20(28-3)19(27-2)11-16(17)18/h7-11,13,17H,4-6,12H2,1-3H3,(H,23,26)(H,24,25)/t17-/m0/s1
InChIKeyLNTUVPYUBOYONX-KRWDZBQOSA-N
XLogP4.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide 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

(4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26110571
(4S)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26110572
7-fluoro-N-[4-(2-hydroxyethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110922966
1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38202852
(4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 7269167
(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51531802
(4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 25496338
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
N-(4-butylphenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55569865
N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46698498
N-(4-butylphenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 7643447
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-butylphenyl)propanamide
CID 2071397

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 9430047) is (4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CCCCc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of (4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is LNTUVPYUBOYONX-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-5-6-14-7-9-15(10-8-14)23-22(26)17-12-21(25)24-18-13-20(28-3)19(27-2)11-16(17)18/h7-11,13,17H,4-6,12H2,1-3H3,(H,23,26)(H,24,25)/t17-/m0/s1.
What are the key properties of (4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 9430047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).