2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide

C23H23N3O2 — CID 70721304

IUPAC2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCc1ccc(N2CC(NC(=O)c3cc(C)nc4ccc(C)cc34)CC2=O)cc1
InChIInChI=1S/C23H23N3O2/c1-14-4-7-18(8-5-14)26-13-17(12-22(26)27)25-23(28)20-11-16(3)24-21-9-6-15(2)10-19(20)21/h4-11,17H,12-13H2,1-3H3,(H,25,28)
InChIKeyBEUGRCZGKXPFDO-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.70
Rot. Bonds3

About 2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide

2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide (PubChem CID 70721304) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide
PubChem CID70721304
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCc1ccc(N2CC(NC(=O)c3cc(C)nc4ccc(C)cc34)CC2=O)cc1
InChIInChI=1S/C23H23N3O2/c1-14-4-7-18(8-5-14)26-13-17(12-22(26)27)25-23(28)20-11-16(3)24-21-9-6-15(2)10-19(20)21/h4-11,17H,12-13H2,1-3H3,(H,25,28)
InChIKeyBEUGRCZGKXPFDO-UHFFFAOYSA-N
XLogP3.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]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

4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
2-methoxy-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 97129498
2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72883236
3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547228
3-chloro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547239
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide
CID 70765038
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547250
3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 18573314
1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide
CID 72876504
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7255032
1-(3-methylphenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513840

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide (CID 70721304) is 2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide is Cc1ccc(N2CC(NC(=O)c3cc(C)nc4ccc(C)cc34)CC2=O)cc1.
What is the InChIKey of 2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide?
The InChIKey is BEUGRCZGKXPFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-14-4-7-18(8-5-14)26-13-17(12-22(26)27)25-23(28)20-11-16(3)24-21-9-6-15(2)10-19(20)21/h4-11,17H,12-13H2,1-3H3,(H,25,28).
What are the key properties of 2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide?
2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 70721304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).