2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide

C23H19N3O — CID 3663866

IUPAC2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3cc(C)ccn3)c3ccccc3n2)c1
InChIInChI=1S/C23H19N3O/c1-15-6-5-7-17(12-15)21-14-19(18-8-3-4-9-20(18)25-21)23(27)26-22-13-16(2)10-11-24-22/h3-14H,1-2H3,(H,24,26,27)
InChIKeyJVJZUFWDRGPWCE-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.17
Rot. Bonds3

About 2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide

2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide (PubChem CID 3663866) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
PubChem CID3663866
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3cc(C)ccn3)c3ccccc3n2)c1
InChIInChI=1S/C23H19N3O/c1-15-6-5-7-17(12-15)21-14-19(18-8-3-4-9-20(18)25-21)23(27)26-22-13-16(2)10-11-24-22/h3-14H,1-2H3,(H,24,26,27)
InChIKeyJVJZUFWDRGPWCE-UHFFFAOYSA-N
XLogP5.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 5113014
2-(3-methylphenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3595937
6-methyl-N-(4-methyl-2-pyridinyl)-2-phenylquinoline-4-carboxamide
CID 16573417
N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4159405
N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 5239523
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286
N-(2-carbamoylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 2886854
2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide
CID 4657048
2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3596091
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4196964
dimethyl 5-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1224618
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide (CID 3663866) is 2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide is Cc1cccc(-c2cc(C(=O)Nc3cc(C)ccn3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide?
The InChIKey is JVJZUFWDRGPWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-15-6-5-7-17(12-15)21-14-19(18-8-3-4-9-20(18)25-21)23(27)26-22-13-16(2)10-11-24-22/h3-14H,1-2H3,(H,24,26,27).
What are the key properties of 2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide?
2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 3663866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).