2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide

C23H25ClN4O — CID 46364135

IUPAC2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)c4ccccc4Cl)ccc3n2)CC1
InChIInChI=1S/C23H25ClN4O/c1-3-27-10-12-28(13-11-27)22-14-16(2)19-15-17(8-9-21(19)26-22)25-23(29)18-6-4-5-7-20(18)24/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,29)
InChIKeyYUUHYSFCEZLHAM-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.59
Rot. Bonds4

About 2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide

2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide (PubChem CID 46364135) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
PubChem CID46364135
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC Name2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)c4ccccc4Cl)ccc3n2)CC1
InChIInChI=1S/C23H25ClN4O/c1-3-27-10-12-28(13-11-27)22-14-16(2)19-15-17(8-9-21(19)26-22)25-23(29)18-6-4-5-7-20(18)24/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,29)
InChIKeyYUUHYSFCEZLHAM-UHFFFAOYSA-N
XLogP4.59
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]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 2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide (CID 46364135) is 2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide is CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccccc4Cl)ccc3n2)CC1.
What is the InChIKey of 2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide?
The InChIKey is YUUHYSFCEZLHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c1-3-27-10-12-28(13-11-27)22-14-16(2)19-15-17(8-9-21(19)26-22)25-23(29)18-6-4-5-7-20(18)24/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,29).
What are the key properties of 2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide?
2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide has a molecular weight of 408.93 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide is sourced from PubChem (CID 46364135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).