(3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide

C25H24N2O2 — CID 101469872

IUPAC(3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide
SMILESC[C@@]1(C(=O)NCc2ccccc2)Cc2ccccc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C25H24N2O2/c1-25(23(28)26-17-19-10-4-2-5-11-19)16-21-14-8-9-15-22(21)27(24(25)29)18-20-12-6-3-7-13-20/h2-15H,16-18H2,1H3,(H,26,28)/t25-/m0/s1
InChIKeyANWLVOWCKVPVGE-VWLOTQADSA-N
MW384.48 g/mol
LogP4.10
Rot. Bonds5

About (3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide

(3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide (PubChem CID 101469872) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide
PubChem CID101469872
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide
SMILESC[C@@]1(C(=O)NCc2ccccc2)Cc2ccccc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C25H24N2O2/c1-25(23(28)26-17-19-10-4-2-5-11-19)16-21-14-8-9-15-22(21)27(24(25)29)18-20-12-6-3-7-13-20/h2-15H,16-18H2,1H3,(H,26,28)/t25-/m0/s1
InChIKeyANWLVOWCKVPVGE-VWLOTQADSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-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

(3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 95089584
1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one
CID 102400070
N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide
CID 132515764
N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide
CID 110747314
tert-butyl N-[(1S)-1-[(3S)-1-benzyl-3-nitro-2-oxo-4H-quinolin-3-yl]-3-methylbutyl]carbamate
CID 132547389
N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767813
4-benzyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxylic acid
CID 10829004
N-benzyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247154
N-[(4-chlorophenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 16556934
(3S)-N-benzyl-2-cyclohexyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 95089593
(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one
CID 71351349
(3S,4S)-1',2-dibenzyl-3-[4-(hydroxymethyl)phenyl]spiro[3H-isoquinoline-4,3'-4H-quinoline]-1,2'-dione
CID 23947522

Frequently Asked Questions

What is the IUPAC name of (3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide?
The IUPAC name of (3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide (CID 101469872) is (3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide.
What is the SMILES notation for (3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide?
The canonical SMILES for (3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide is C[C@@]1(C(=O)NCc2ccccc2)Cc2ccccc2N(Cc2ccccc2)C1=O.
What is the InChIKey of (3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide?
The InChIKey is ANWLVOWCKVPVGE-VWLOTQADSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-25(23(28)26-17-19-10-4-2-5-11-19)16-21-14-8-9-15-22(21)27(24(25)29)18-20-12-6-3-7-13-20/h2-15H,16-18H2,1H3,(H,26,28)/t25-/m0/s1.
What are the key properties of (3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide?
(3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide is sourced from PubChem (CID 101469872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).