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

C21H18N4O — CID 51307625

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n(C)n1
InChIInChI=1S/C21H18N4O/c1-14-12-20(25(2)24-14)23-21(26)17-13-19(15-8-4-3-5-9-15)22-18-11-7-6-10-16(17)18/h3-13H,1-2H3,(H,23,26)
InChIKeyUEJXOOSWTBJWMD-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.20
Rot. Bonds3

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

N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide (PubChem CID 51307625) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
PubChem CID51307625
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n(C)n1
InChIInChI=1S/C21H18N4O/c1-14-12-20(25(2)24-14)23-21(26)17-13-19(15-8-4-3-5-9-15)22-18-11-7-6-10-16(17)18/h3-13H,1-2H3,(H,23,26)
InChIKeyUEJXOOSWTBJWMD-UHFFFAOYSA-N
XLogP4.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide
CID 52548004
2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide
CID 2372877
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 112772630
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 5129728
N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55635669
N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-phenylquinoline-4-carboxamide
CID 166210799
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide (CID 51307625) is N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide?
The InChIKey is UEJXOOSWTBJWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-12-20(25(2)24-14)23-21(26)17-13-19(15-8-4-3-5-9-15)22-18-11-7-6-10-16(17)18/h3-13H,1-2H3,(H,23,26).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 51307625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).