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

C23H20N4O — CID 15994894

IUPAC2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccccc1Nc1cc(C(=O)NCc2ccccn2)c2ccccc2n1
InChIInChI=1S/C23H20N4O/c1-16-8-2-4-11-20(16)26-22-14-19(18-10-3-5-12-21(18)27-22)23(28)25-15-17-9-6-7-13-24-17/h2-14H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyHCSDUJICFXKTIT-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.61
Rot. Bonds5

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

2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 15994894) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
PubChem CID15994894
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccccc1Nc1cc(C(=O)NCc2ccccn2)c2ccccc2n1
InChIInChI=1S/C23H20N4O/c1-16-8-2-4-11-20(16)26-22-14-19(18-10-3-5-12-21(18)27-22)23(28)25-15-17-9-6-7-13-24-17/h2-14H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyHCSDUJICFXKTIT-UHFFFAOYSA-N
XLogP4.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 126458298
2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1220288
6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120841
2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671
2-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 4225926
2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 18107562
N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947490
2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990880
N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide
CID 20854511
2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 113338677
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973
4-methyl-N-(pyridin-2-ylmethyl)furo[3,2-c]quinoline-2-carboxamide
CID 3237079

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide (CID 15994894) is 2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide is Cc1ccccc1Nc1cc(C(=O)NCc2ccccn2)c2ccccc2n1.
What is the InChIKey of 2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is HCSDUJICFXKTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-16-8-2-4-11-20(16)26-22-14-19(18-10-3-5-12-21(18)27-22)23(28)25-15-17-9-6-7-13-24-17/h2-14H,15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 15994894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).