2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide

C21H17ClN4O — CID 52548004

IUPAC2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)n(C)n1
InChIInChI=1S/C21H17ClN4O/c1-13-11-20(26(2)25-13)24-21(27)17-12-19(14-7-9-15(22)10-8-14)23-18-6-4-3-5-16(17)18/h3-12H,1-2H3,(H,24,27)
InChIKeyIIJMQVBTCTXBRK-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.85
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide

2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide (PubChem CID 52548004) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide
PubChem CID52548004
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)n(C)n1
InChIInChI=1S/C21H17ClN4O/c1-13-11-20(26(2)25-13)24-21(27)17-12-19(14-7-9-15(22)10-8-14)23-18-6-4-3-5-16(17)18/h3-12H,1-2H3,(H,24,27)
InChIKeyIIJMQVBTCTXBRK-UHFFFAOYSA-N
XLogP4.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 51307625
2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide
CID 2372877
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide
CID 3165622
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 112772630
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
CID 4052341
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 4181016

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide (CID 52548004) is 2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)n(C)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide?
The InChIKey is IIJMQVBTCTXBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-13-11-20(26(2)25-13)24-21(27)17-12-19(14-7-9-15(22)10-8-14)23-18-6-4-3-5-16(17)18/h3-12H,1-2H3,(H,24,27).
What are the key properties of 2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 52548004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).