N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide

C25H22N2O2 — CID 22578030

IUPACN-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
SMILESCc1ccc(COc2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H22N2O2/c1-18-11-13-20(14-12-18)17-29-24-15-22(21-9-5-6-10-23(21)27-24)25(28)26-16-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3,(H,26,28)
InChIKeyKAIOETKMAWJMAF-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.05
Rot. Bonds6

About N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide

N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide (PubChem CID 22578030) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
PubChem CID22578030
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
SMILESCc1ccc(COc2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H22N2O2/c1-18-11-13-20(14-12-18)17-29-24-15-22(21-9-5-6-10-23(21)27-24)25(28)26-16-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3,(H,26,28)
InChIKeyKAIOETKMAWJMAF-UHFFFAOYSA-N
XLogP5.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methylphenyl)methoxy]-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide
CID 22578077
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578050
N-[(4-fluorophenyl)methyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22578001
N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578064
2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 22578012
N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578073
N-(2-phenylethyl)-2-phenylmethoxyquinoline-4-carboxamide
CID 22577997
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22577984
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4162780
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 18729746

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide?
The IUPAC name of N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide (CID 22578030) is N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide?
The canonical SMILES for N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide is Cc1ccc(COc2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide?
The InChIKey is KAIOETKMAWJMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-18-11-13-20(14-12-18)17-29-24-15-22(21-9-5-6-10-23(21)27-24)25(28)26-16-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3,(H,26,28).
What are the key properties of N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide?
N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide is sourced from PubChem (CID 22578030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).