2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide

C27H22N4O — CID 2372877

IUPAC2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C27H22N4O/c1-18-12-14-20(15-13-18)25-17-23(22-10-6-7-11-24(22)28-25)27(32)29-26-16-19(2)30-31(26)21-8-4-3-5-9-21/h3-17H,1-2H3,(H,29,32)
InChIKeyAIRPHADQMIDXAA-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.96
Rot. Bonds4

About 2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide

2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide (PubChem CID 2372877) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide
PubChem CID2372877
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC Name2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C27H22N4O/c1-18-12-14-20(15-13-18)25-17-23(22-10-6-7-11-24(22)28-25)27(32)29-26-16-19(2)30-31(26)21-8-4-3-5-9-21/h3-17H,1-2H3,(H,29,32)
InChIKeyAIRPHADQMIDXAA-UHFFFAOYSA-N
XLogP5.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.96
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
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 112772630
2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide
CID 52548004
2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide
CID 55507906
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 75524900

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide (CID 2372877) is 2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide?
The InChIKey is AIRPHADQMIDXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O/c1-18-12-14-20(15-13-18)25-17-23(22-10-6-7-11-24(22)28-25)27(32)29-26-16-19(2)30-31(26)21-8-4-3-5-9-21/h3-17H,1-2H3,(H,29,32).
What are the key properties of 2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide?
2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2372877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).