2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide

C21H18N4O — CID 70789439

IUPAC2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccn[nH]3)c3ccccc3n2)cc1C
InChIInChI=1S/C21H18N4O/c1-13-7-8-15(11-14(13)2)19-12-17(16-5-3-4-6-18(16)23-19)21(26)24-20-9-10-22-25-20/h3-12H,1-2H3,(H2,22,24,25,26)
InChIKeyYCMVSVGNAJNDNE-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.49
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide

2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide (PubChem CID 70789439) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide
PubChem CID70789439
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccn[nH]3)c3ccccc3n2)cc1C
InChIInChI=1S/C21H18N4O/c1-13-7-8-15(11-14(13)2)19-12-17(16-5-3-4-6-18(16)23-19)21(26)24-20-9-10-22-25-20/h3-12H,1-2H3,(H2,22,24,25,26)
InChIKeyYCMVSVGNAJNDNE-UHFFFAOYSA-N
XLogP4.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 167753556
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4060767
2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium
CID 4114426
N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 4685628
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 5054651
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 5151402
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865928
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide (CID 70789439) is 2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccn[nH]3)c3ccccc3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide?
The InChIKey is YCMVSVGNAJNDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-13-7-8-15(11-14(13)2)19-12-17(16-5-3-4-6-18(16)23-19)21(26)24-20-9-10-22-25-20/h3-12H,1-2H3,(H2,22,24,25,26).
What are the key properties of 2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide?
2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide is sourced from PubChem (CID 70789439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).