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

C24H23FN4O2 — CID 53132415

IUPAC2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCC1CCC(NC(=O)c2ccc3ncc4c(=O)n(-c5ccc(F)cc5)[nH]c4c3c2)CC1
InChIInChI=1S/C24H23FN4O2/c1-14-2-7-17(8-3-14)27-23(30)15-4-11-21-19(12-15)22-20(13-26-21)24(31)29(28-22)18-9-5-16(25)6-10-18/h4-6,9-14,17,28H,2-3,7-8H2,1H3,(H,27,30)
InChIKeyHIGZRTQUXKREON-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.31
Rot. Bonds3

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

2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 53132415) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID53132415
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCC1CCC(NC(=O)c2ccc3ncc4c(=O)n(-c5ccc(F)cc5)[nH]c4c3c2)CC1
InChIInChI=1S/C24H23FN4O2/c1-14-2-7-17(8-3-14)27-23(30)15-4-11-21-19(12-15)22-20(13-26-21)24(31)29(28-22)18-9-5-16(25)6-10-18/h4-6,9-14,17,28H,2-3,7-8H2,1H3,(H,27,30)
InChIKeyHIGZRTQUXKREON-UHFFFAOYSA-N
XLogP4.31
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.31
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-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132495
2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132534
4-[[2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carbonyl]amino]benzenesulfonic acid
CID 53132376
N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132469
2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 98246252
7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136439
N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132480
N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132430
2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 53132527
N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide
CID 53015892
4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)-N-(1-(111C)methylpiperidin-4-yl)benzamide
CID 72694921
N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132434

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 53132415) is 2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is CC1CCC(NC(=O)c2ccc3ncc4c(=O)n(-c5ccc(F)cc5)[nH]c4c3c2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is HIGZRTQUXKREON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-14-2-7-17(8-3-14)27-23(30)15-4-11-21-19(12-15)22-20(13-26-21)24(31)29(28-22)18-9-5-16(25)6-10-18/h4-6,9-14,17,28H,2-3,7-8H2,1H3,(H,27,30).
What are the key properties of 2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 53132415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).