N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

C24H17ClN4O2 — CID 53132434

IUPACN-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1
InChIInChI=1S/C24H17ClN4O2/c25-20-9-5-4-6-16(20)13-27-23(30)15-10-11-21-18(12-15)22-19(14-26-21)24(31)29(28-22)17-7-2-1-3-8-17/h1-12,14,28H,13H2,(H,27,30)
InChIKeyPLLREDQSBNVFHB-UHFFFAOYSA-N
MW428.88 g/mol
LogP4.45
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 53132434) has the molecular formula C24H17ClN4O2 and a molecular weight of 428.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID53132434
Molecular FormulaC24H17ClN4O2
Molecular Weight428.88 g/mol
Exact Mass428.10
IUPAC NameN-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1
InChIInChI=1S/C24H17ClN4O2/c25-20-9-5-4-6-16(20)13-27-23(30)15-10-11-21-18(12-15)22-19(14-26-21)24(31)29(28-22)17-7-2-1-3-8-17/h1-12,14,28H,13H2,(H,27,30)
InChIKeyPLLREDQSBNVFHB-UHFFFAOYSA-N
XLogP4.45
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Analyze N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-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-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132430
2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132534
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132457
8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 53132467
N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 110600760
N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517821
N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide
CID 46389949
3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054654
4-[[2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carbonyl]amino]benzenesulfonic acid
CID 53132376
3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide
CID 174494762
2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 53132542
2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 98246252

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 53132434) is N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is O=C(NCc1ccccc1Cl)c1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is PLLREDQSBNVFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O2/c25-20-9-5-4-6-16(20)13-27-23(30)15-10-11-21-18(12-15)22-19(14-26-21)24(31)29(28-22)17-7-2-1-3-8-17/h1-12,14,28H,13H2,(H,27,30).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 53132434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).