1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide

C24H33N3O3 — CID 75280567

IUPAC1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC1CC(=O)NC2CC(NC(=O)C3CC(=O)N(c4ccc(C)c(C)c4)C3)CCC12
InChIInChI=1S/C24H33N3O3/c1-4-16-10-22(28)26-21-12-18(6-8-20(16)21)25-24(30)17-11-23(29)27(13-17)19-7-5-14(2)15(3)9-19/h5,7,9,16-18,20-21H,4,6,8,10-13H2,1-3H3,(H,25,30)(H,26,28)
InChIKeyLJGRETCXSRLQNB-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.86
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide

1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 75280567) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID75280567
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC1CC(=O)NC2CC(NC(=O)C3CC(=O)N(c4ccc(C)c(C)c4)C3)CCC12
InChIInChI=1S/C24H33N3O3/c1-4-16-10-22(28)26-21-12-18(6-8-20(16)21)25-24(30)17-11-23(29)27(13-17)19-7-5-14(2)15(3)9-19/h5,7,9,16-18,20-21H,4,6,8,10-13H2,1-3H3,(H,25,30)(H,26,28)
InChIKeyLJGRETCXSRLQNB-UHFFFAOYSA-N
XLogP2.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide
CID 75280067
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9393495
1-(4-bromo-3-methylphenyl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119388409
(3S)-N-[(2S)-butan-2-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393073
N-butan-2-yl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082340
methyl (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 804856
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070
N-tert-butyl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497633
N-(cyanomethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082306
(3S)-N-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 847984
1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17082457
(3S)-N-(3-acetamidophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438889

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide (CID 75280567) is 1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide is CCC1CC(=O)NC2CC(NC(=O)C3CC(=O)N(c4ccc(C)c(C)c4)C3)CCC12.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LJGRETCXSRLQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-4-16-10-22(28)26-21-12-18(6-8-20(16)21)25-24(30)17-11-23(29)27(13-17)19-7-5-14(2)15(3)9-19/h5,7,9,16-18,20-21H,4,6,8,10-13H2,1-3H3,(H,25,30)(H,26,28).
What are the key properties of 1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide?
1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75280567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).