N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide

C25H22N2O2 — CID 3269613

IUPACN-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccccc3C)nc3ccccc23)cc1
InChIInChI=1S/C25H22N2O2/c1-17-7-3-4-8-20(17)24-15-22(21-9-5-6-10-23(21)27-24)25(28)26-16-18-11-13-19(29-2)14-12-18/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyGNYRXGAHTISFPC-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.15
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide

N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide (PubChem CID 3269613) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
PubChem CID3269613
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccccc3C)nc3ccccc23)cc1
InChIInChI=1S/C25H22N2O2/c1-17-7-3-4-8-20(17)24-15-22(21-9-5-6-10-23(21)27-24)25(28)26-16-18-11-13-19(29-2)14-12-18/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyGNYRXGAHTISFPC-UHFFFAOYSA-N
XLogP5.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-[[3-[[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5107909
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 4643106
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 2965713
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 4051739
methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 18729745
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4162780
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 3276867

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide (CID 3269613) is N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide is COc1ccc(CNC(=O)c2cc(-c3ccccc3C)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide?
The InChIKey is GNYRXGAHTISFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-17-7-3-4-8-20(17)24-15-22(21-9-5-6-10-23(21)27-24)25(28)26-16-18-11-13-19(29-2)14-12-18/h3-15H,16H2,1-2H3,(H,26,28).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3269613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).