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

C20H17ClN4O2 — CID 53132534

IUPAC2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCCCNC(=O)c1ccc2ncc3c(=O)n(-c4ccc(Cl)cc4)[nH]c3c2c1
InChIInChI=1S/C20H17ClN4O2/c1-2-9-22-19(26)12-3-8-17-15(10-12)18-16(11-23-17)20(27)25(24-18)14-6-4-13(21)5-7-14/h3-8,10-11,24H,2,9H2,1H3,(H,22,26)
InChIKeyPYMDKRMTSPDSMI-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.66
Rot. Bonds4

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

2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 53132534) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID53132534
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCCCNC(=O)c1ccc2ncc3c(=O)n(-c4ccc(Cl)cc4)[nH]c3c2c1
InChIInChI=1S/C20H17ClN4O2/c1-2-9-22-19(26)12-3-8-17-15(10-12)18-16(11-23-17)20(27)25(24-18)14-6-4-13(21)5-7-14/h3-8,10-11,24H,2,9H2,1H3,(H,22,26)
InChIKeyPYMDKRMTSPDSMI-UHFFFAOYSA-N
XLogP3.66
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132469
2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 98246263
N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132434
N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132430
2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 98246252
2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132415
N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132495
4-[[2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carbonyl]amino]benzenesulfonic acid
CID 53132376
2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one
CID 18330010
3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide
CID 174494762
2-[(4-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-4-oxo-N-propylquinazoline-7-carboxamide
CID 46361951
N-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide
CID 22021872

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 53132534) is 2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is CCCNC(=O)c1ccc2ncc3c(=O)n(-c4ccc(Cl)cc4)[nH]c3c2c1.
What is the InChIKey of 2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is PYMDKRMTSPDSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-2-9-22-19(26)12-3-8-17-15(10-12)18-16(11-23-17)20(27)25(24-18)14-6-4-13(21)5-7-14/h3-8,10-11,24H,2,9H2,1H3,(H,22,26).
What are the key properties of 2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 53132534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).