2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide

C23H19N3O — CID 1220288

IUPAC2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1
InChIInChI=1S/C23H19N3O/c1-16-9-11-17(12-10-16)22-14-20(19-7-2-3-8-21(19)26-22)23(27)25-15-18-6-4-5-13-24-18/h2-14H,15H2,1H3,(H,25,27)
InChIKeyDDMMLVAWOYISEU-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.54
Rot. Bonds4

About 2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide

2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 1220288) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
PubChem CID1220288
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1
InChIInChI=1S/C23H19N3O/c1-16-9-11-17(12-10-16)22-14-20(19-7-2-3-8-21(19)26-22)23(27)25-15-18-6-4-5-13-24-18/h2-14H,15H2,1H3,(H,25,27)
InChIKeyDDMMLVAWOYISEU-UHFFFAOYSA-N
XLogP4.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671
2-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 4225926
N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide
CID 69053992
2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 18107562
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 42750059
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72868649
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 15994894
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide (CID 1220288) is 2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is DDMMLVAWOYISEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-16-9-11-17(12-10-16)22-14-20(19-7-2-3-8-21(19)26-22)23(27)25-15-18-6-4-5-13-24-18/h2-14H,15H2,1H3,(H,25,27).
What are the key properties of 2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 1220288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).