(4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone

C28H26ClN3O — CID 1023261

IUPAC(4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone
SMILESCc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H26ClN3O/c1-20-26(28(33)32-17-15-31(16-18-32)19-21-7-3-2-4-8-21)24-9-5-6-10-25(24)30-27(20)22-11-13-23(29)14-12-22/h2-14H,15-19H2,1H3
InChIKeyCNJLDMJAEPSPRY-UHFFFAOYSA-N
MW455.99 g/mol
LogP5.82
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone

(4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone (PubChem CID 1023261) has the molecular formula C28H26ClN3O and a molecular weight of 455.99 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone
PubChem CID1023261
Molecular FormulaC28H26ClN3O
Molecular Weight455.99 g/mol
Exact Mass455.18
IUPAC Name(4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone
SMILESCc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H26ClN3O/c1-20-26(28(33)32-17-15-31(16-18-32)19-21-7-3-2-4-8-21)24-9-5-6-10-25(24)30-27(20)22-11-13-23(29)14-12-22/h2-14H,15-19H2,1H3
InChIKeyCNJLDMJAEPSPRY-UHFFFAOYSA-N
XLogP5.82
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.99
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone 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

[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone
CID 2965435
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]methanone
CID 4094503
[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 2220750
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6105008
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1261265
[2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4247332
2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 100655590
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone
CID 4080449
2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide
CID 4638984
2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide
CID 3508293

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone (CID 1023261) is (4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone is Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone?
The InChIKey is CNJLDMJAEPSPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O/c1-20-26(28(33)32-17-15-31(16-18-32)19-21-7-3-2-4-8-21)24-9-5-6-10-25(24)30-27(20)22-11-13-23(29)14-12-22/h2-14H,15-19H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone?
(4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone has a molecular weight of 455.99 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone is sourced from PubChem (CID 1023261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).