N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide

C26H20ClN3O3 — CID 146085504

IUPACN-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C26H20ClN3O3/c27-19-8-5-16(6-9-19)15-30-23-11-10-20(13-18(23)7-12-24(30)31)28-26(33)22-14-17-3-1-2-4-21(17)25(32)29-22/h1-6,8-11,13-14H,7,12,15H2,(H,28,33)(H,29,32)
InChIKeyKOHCETHNOIZDSD-UHFFFAOYSA-N
MW457.92 g/mol
LogP4.91
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 146085504) has the molecular formula C26H20ClN3O3 and a molecular weight of 457.92 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID146085504
Molecular FormulaC26H20ClN3O3
Molecular Weight457.92 g/mol
Exact Mass457.12
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C26H20ClN3O3/c27-19-8-5-16(6-9-19)15-30-23-11-10-20(13-18(23)7-12-24(30)31)28-26(33)22-14-17-3-1-2-4-21(17)25(32)29-22/h1-6,8-11,13-14H,7,12,15H2,(H,28,33)(H,29,32)
InChIKeyKOHCETHNOIZDSD-UHFFFAOYSA-N
XLogP4.91
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-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

N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide
CID 60597542
6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide
CID 60597421
2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide
CID 119756427
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-fluorophenyl)acetamide
CID 16926873
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzamide
CID 16926919
3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide
CID 119756405
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide
CID 16926904
N-(4-chloro-2-fluorophenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 78802749
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
CID 16926847
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide
CID 16926889
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide (CID 146085504) is N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide is O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is KOHCETHNOIZDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O3/c27-19-8-5-16(6-9-19)15-30-23-11-10-20(13-18(23)7-12-24(30)31)28-26(33)22-14-17-3-1-2-4-21(17)25(32)29-22/h1-6,8-11,13-14H,7,12,15H2,(H,28,33)(H,29,32).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 457.92 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 146085504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).