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

C23H19N3O2 — CID 2666564

IUPAC2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccncc3)c3ccccc3n2)cc1
InChIInChI=1S/C23H19N3O2/c1-28-18-8-6-17(7-9-18)22-14-20(19-4-2-3-5-21(19)26-22)23(27)25-15-16-10-12-24-13-11-16/h2-14H,15H2,1H3,(H,25,27)
InChIKeyACZIWWFYWACSHX-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.24
Rot. Bonds5

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

2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide (PubChem CID 2666564) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
PubChem CID2666564
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccncc3)c3ccccc3n2)cc1
InChIInChI=1S/C23H19N3O2/c1-28-18-8-6-17(7-9-18)22-14-20(19-4-2-3-5-21(19)26-22)23(27)25-15-16-10-12-24-13-11-16/h2-14H,15H2,1H3,(H,25,27)
InChIKeyACZIWWFYWACSHX-UHFFFAOYSA-N
XLogP4.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24717051
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42750052
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide (CID 2666564) is 2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccncc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The InChIKey is ACZIWWFYWACSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-18-8-6-17(7-9-18)22-14-20(19-4-2-3-5-21(19)26-22)23(27)25-15-16-10-12-24-13-11-16/h2-14H,15H2,1H3,(H,25,27).
What are the key properties of 2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 2666564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).