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

C23H13ClF2N4O2 — CID 53132366

IUPACN-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1
InChIInChI=1S/C23H13ClF2N4O2/c24-18-10-14(4-7-19(18)26)28-22(31)12-1-8-20-16(9-12)21-17(11-27-20)23(32)30(29-21)15-5-2-13(25)3-6-15/h1-11,29H,(H,28,31)
InChIKeySYSHNQCWBJMQQB-UHFFFAOYSA-N
MW450.83 g/mol
LogP5.05
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 53132366) has the molecular formula C23H13ClF2N4O2 and a molecular weight of 450.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID53132366
Molecular FormulaC23H13ClF2N4O2
Molecular Weight450.83 g/mol
Exact Mass450.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1
InChIInChI=1S/C23H13ClF2N4O2/c24-18-10-14(4-7-19(18)26)28-22(31)12-1-8-20-16(9-12)21-17(11-27-20)23(32)30(29-21)15-5-2-13(25)3-6-15/h1-11,29H,(H,28,31)
InChIKeySYSHNQCWBJMQQB-UHFFFAOYSA-N
XLogP5.05
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.83
LogP ≤ 55.05
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-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132492
4-[[2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carbonyl]amino]benzenesulfonic acid
CID 53132376
N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132480
2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132534
N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132430
2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide
CID 55731814
N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532923
N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388195
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726973
N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 63211979
4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
CID 167246589

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 53132366) is N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is SYSHNQCWBJMQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClF2N4O2/c24-18-10-14(4-7-19(18)26)28-22(31)12-1-8-20-16(9-12)21-17(11-27-20)23(32)30(29-21)15-5-2-13(25)3-6-15/h1-11,29H,(H,28,31).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 450.83 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 53132366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).