N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

C24H18N4O2 — CID 53132430

IUPACN-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1
InChIInChI=1S/C24H18N4O2/c29-23(26-14-16-7-3-1-4-8-16)17-11-12-21-19(13-17)22-20(15-25-21)24(30)28(27-22)18-9-5-2-6-10-18/h1-13,15,27H,14H2,(H,26,29)
InChIKeyONKQUBPHHJTLPX-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.80
Rot. Bonds4

About N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 53132430) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID53132430
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC NameN-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1
InChIInChI=1S/C24H18N4O2/c29-23(26-14-16-7-3-1-4-8-16)17-11-12-21-19(13-17)22-20(15-25-21)24(30)28(27-22)18-9-5-2-6-10-18/h1-13,15,27H,14H2,(H,26,29)
InChIKeyONKQUBPHHJTLPX-UHFFFAOYSA-N
XLogP3.80
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.80
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-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132434
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132457
N-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide
CID 22021872
N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132469
2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132534
3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide
CID 174494762
8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 53132467
2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132415
4-[[2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carbonyl]amino]benzenesulfonic acid
CID 53132376
N-benzylquinazoline-6-carboxamide
CID 141061658
N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132495
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 53132430) is N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is O=C(NCc1ccccc1)c1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1.
What is the InChIKey of N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is ONKQUBPHHJTLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c29-23(26-14-16-7-3-1-4-8-16)17-11-12-21-19(13-17)22-20(15-25-21)24(30)28(27-22)18-9-5-2-6-10-18/h1-13,15,27H,14H2,(H,26,29).
What are the key properties of N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 53132430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).