2-(3,4-dimethylphenyl)-N-(1,5-dimethylpyrazol-3-yl)-8-methylquinoline-4-carboxamide

C24H24N4O — CID 17285024

IUPAC2-(3,4-dimethylphenyl)-N-(1,5-dimethylpyrazol-3-yl)-8-methylquinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C)n(C)n3)c3cccc(C)c3n2)cc1C
InChIInChI=1S/C24H24N4O/c1-14-9-10-18(11-16(14)3)21-13-20(19-8-6-7-15(2)23(19)25-21)24(29)26-22-12-17(4)28(5)27-22/h6-13H,1-5H3,(H,26,27,29)
InChIKeyBBIRZWXTSVNOOZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.12
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-N-(1,5-dimethylpyrazol-3-yl)-8-methylquinoline-4-carboxamide

2-(3,4-dimethylphenyl)-N-(1,5-dimethylpyrazol-3-yl)-8-methylquinoline-4-carboxamide (PubChem CID 17285024) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(1,5-dimethylpyrazol-3-yl)-8-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(1,5-dimethylpyrazol-3-yl)-8-methylquinoline-4-carboxamide
PubChem CID17285024
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(3,4-dimethylphenyl)-N-(1,5-dimethylpyrazol-3-yl)-8-methylquinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C)n(C)n3)c3cccc(C)c3n2)cc1C
InChIInChI=1S/C24H24N4O/c1-14-9-10-18(11-16(14)3)21-13-20(19-8-6-7-15(2)23(19)25-21)24(29)26-22-12-17(4)28(5)27-22/h6-13H,1-5H3,(H,26,27,29)
InChIKeyBBIRZWXTSVNOOZ-UHFFFAOYSA-N
XLogP5.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone
CID 17373725
2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4060767
8-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261330
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 39854030
8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 4746270
N-(2-hydroxyethyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 5033603
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide
CID 3639002
8-methyl-N',2-diphenylquinoline-4-carbohydrazide
CID 4554842
N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 17373735
6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4217087

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(1,5-dimethylpyrazol-3-yl)-8-methylquinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(1,5-dimethylpyrazol-3-yl)-8-methylquinoline-4-carboxamide (CID 17285024) is 2-(3,4-dimethylphenyl)-N-(1,5-dimethylpyrazol-3-yl)-8-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(1,5-dimethylpyrazol-3-yl)-8-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(1,5-dimethylpyrazol-3-yl)-8-methylquinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cc(C)n(C)n3)c3cccc(C)c3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(1,5-dimethylpyrazol-3-yl)-8-methylquinoline-4-carboxamide?
The InChIKey is BBIRZWXTSVNOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-14-9-10-18(11-16(14)3)21-13-20(19-8-6-7-15(2)23(19)25-21)24(29)26-22-12-17(4)28(5)27-22/h6-13H,1-5H3,(H,26,27,29).
What are the key properties of 2-(3,4-dimethylphenyl)-N-(1,5-dimethylpyrazol-3-yl)-8-methylquinoline-4-carboxamide?
2-(3,4-dimethylphenyl)-N-(1,5-dimethylpyrazol-3-yl)-8-methylquinoline-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(1,5-dimethylpyrazol-3-yl)-8-methylquinoline-4-carboxamide is sourced from PubChem (CID 17285024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).