(3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide

C25H24N2O2 — CID 95089584

IUPAC(3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
SMILESC[C@]1(C(=O)NCc2ccccc2)Cc2ccccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H24N2O2/c1-25(24(29)26-17-19-10-4-2-5-11-19)16-21-14-8-9-15-22(21)23(28)27(25)18-20-12-6-3-7-13-20/h2-15H,16-18H2,1H3,(H,26,29)/t25-/m1/s1
InChIKeyOAVYAIVZTLGOIE-RUZDIDTESA-N
MW384.48 g/mol
LogP3.96
Rot. Bonds5

About (3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide

(3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide (PubChem CID 95089584) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
PubChem CID95089584
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
SMILESC[C@]1(C(=O)NCc2ccccc2)Cc2ccccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H24N2O2/c1-25(24(29)26-17-19-10-4-2-5-11-19)16-21-14-8-9-15-22(21)23(28)27(25)18-20-12-6-3-7-13-20/h2-15H,16-18H2,1H3,(H,26,29)/t25-/m1/s1
InChIKeyOAVYAIVZTLGOIE-RUZDIDTESA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-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)-2-[(4-ethoxyphenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]-1-oxo-4H-isoquinoline-3-carboxamide
CID 93071551
2-[(3-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 53011572
(3R)-2-[(3,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 93071568
(3R)-3-methyl-N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methyl]-1-oxo-4H-isoquinoline-3-carboxamide
CID 95089425
(3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-isoquinoline-3-carboxamide
CID 95089379
2-[(3-ethoxyphenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]-1-oxo-4H-isoquinoline-3-carboxamide
CID 53011565
(3S)-2-benzyl-N-cyclohexyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92701404
2-[(3-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 53011575
2-benzyl-3-methyl-3-prop-1-en-2-yl-4H-isoquinolin-1-one
CID 46895860
(3S)-2-[(4-ethoxyphenyl)methyl]-3-methyl-N-[(2-methylphenyl)methyl]-1-oxo-4H-isoquinoline-3-carboxamide
CID 93071574
(3S)-N-benzyl-2-cyclohexyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 95089593
N-benzyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 53120763

Frequently Asked Questions

What is the IUPAC name of (3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide?
The IUPAC name of (3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide (CID 95089584) is (3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide is C[C@]1(C(=O)NCc2ccccc2)Cc2ccccc2C(=O)N1Cc1ccccc1.
What is the InChIKey of (3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide?
The InChIKey is OAVYAIVZTLGOIE-RUZDIDTESA-N. The full InChI is InChI=1S/C25H24N2O2/c1-25(24(29)26-17-19-10-4-2-5-11-19)16-21-14-8-9-15-22(21)23(28)27(25)18-20-12-6-3-7-13-20/h2-15H,16-18H2,1H3,(H,26,29)/t25-/m1/s1.
What are the key properties of (3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide?
(3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide is sourced from PubChem (CID 95089584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).