N-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide

C25H22N2O2 — CID 11111738

IUPACN-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CO
InChIInChI=1S/C25H22N2O2/c1-27(16-18-10-4-2-5-11-18)25(29)24-21(17-28)23(19-12-6-3-7-13-19)20-14-8-9-15-22(20)26-24/h2-15,28H,16-17H2,1H3
InChIKeyZQIPKSZYWSHMFK-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.67
Rot. Bonds5

About N-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide

N-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide (PubChem CID 11111738) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide
PubChem CID11111738
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CO
InChIInChI=1S/C25H22N2O2/c1-27(16-18-10-4-2-5-11-18)25(29)24-21(17-28)23(19-12-6-3-7-13-19)20-14-8-9-15-22(20)26-24/h2-15,28H,16-17H2,1H3
InChIKeyZQIPKSZYWSHMFK-UHFFFAOYSA-N
XLogP4.67
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide?
The IUPAC name of N-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide (CID 11111738) is N-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide.
What is the SMILES notation for N-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide?
The canonical SMILES for N-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide is CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CO.
What is the InChIKey of N-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide?
The InChIKey is ZQIPKSZYWSHMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-27(16-18-10-4-2-5-11-18)25(29)24-21(17-28)23(19-12-6-3-7-13-19)20-14-8-9-15-22(20)26-24/h2-15,28H,16-17H2,1H3.
What are the key properties of N-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide?
N-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(hydroxymethyl)-N-methyl-4-phenylquinoline-2-carboxamide is sourced from PubChem (CID 11111738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).