N-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide

C23H19N3O2 — CID 20740516

IUPACN-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide
SMILESCNC(=O)c1ccc(C(=O)c2cccn2Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C23H19N3O2/c1-24-23(28)18-10-8-17(9-11-18)22(27)21-7-4-12-26(21)15-16-13-19-5-2-3-6-20(19)25-14-16/h2-14H,15H2,1H3,(H,24,28)
InChIKeyIGRBXSBFMGGQMS-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.68
Rot. Bonds5

About N-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide

N-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide (PubChem CID 20740516) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide
PubChem CID20740516
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide
SMILESCNC(=O)c1ccc(C(=O)c2cccn2Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C23H19N3O2/c1-24-23(28)18-10-8-17(9-11-18)22(27)21-7-4-12-26(21)15-16-13-19-5-2-3-6-20(19)25-14-16/h2-14H,15H2,1H3,(H,24,28)
InChIKeyIGRBXSBFMGGQMS-UHFFFAOYSA-N
XLogP3.68
TPSA63.99 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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide 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-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide?
The IUPAC name of N-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide (CID 20740516) is N-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide.
What is the SMILES notation for N-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide?
The canonical SMILES for N-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide is CNC(=O)c1ccc(C(=O)c2cccn2Cc2cnc3ccccc3c2)cc1.
What is the InChIKey of N-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide?
The InChIKey is IGRBXSBFMGGQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-24-23(28)18-10-8-17(9-11-18)22(27)21-7-4-12-26(21)15-16-13-19-5-2-3-6-20(19)25-14-16/h2-14H,15H2,1H3,(H,24,28).
What are the key properties of N-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide?
N-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide is sourced from PubChem (CID 20740516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).