[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone

C30H24ClN3OS — CID 162654911

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)nc2c(-c3cccs3)cccc12)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C30H24ClN3OS/c31-22-9-4-10-23(19-22)33-14-16-34(17-15-33)30(35)26-20-27(21-7-2-1-3-8-21)32-29-24(26)11-5-12-25(29)28-13-6-18-36-28/h1-13,18-20H,14-17H2
InChIKeyZPLSVZYVWADIRE-UHFFFAOYSA-N
MW510.06 g/mol
LogP7.25
Rot. Bonds4

About [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone (PubChem CID 162654911) has the molecular formula C30H24ClN3OS and a molecular weight of 510.06 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone
PubChem CID162654911
Molecular FormulaC30H24ClN3OS
Molecular Weight510.06 g/mol
Exact Mass509.13
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)nc2c(-c3cccs3)cccc12)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C30H24ClN3OS/c31-22-9-4-10-23(19-22)33-14-16-34(17-15-33)30(35)26-20-27(21-7-2-1-3-8-21)32-29-24(26)11-5-12-25(29)28-13-6-18-36-28/h1-13,18-20H,14-17H2
InChIKeyZPLSVZYVWADIRE-UHFFFAOYSA-N
XLogP7.25
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.06
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-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

(2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 46383049
(2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone
CID 162644748
(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17372354
morpholin-4-yl-(2-phenyl-8-thiophen-2-yl-1,6-naphthyridin-4-yl)methanone
CID 162668697
(7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17375501
[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2220935
(8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17371778
[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1023295
[4-(3-chlorophenyl)piperazin-1-yl]-(2-morpholin-4-ylquinolin-4-yl)methanone
CID 6616505
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 4584269
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 17375214
(8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1261917

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone (CID 162654911) is [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone is O=C(c1cc(-c2ccccc2)nc2c(-c3cccs3)cccc12)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone?
The InChIKey is ZPLSVZYVWADIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN3OS/c31-22-9-4-10-23(19-22)33-14-16-34(17-15-33)30(35)26-20-27(21-7-2-1-3-8-21)32-29-24(26)11-5-12-25(29)28-13-6-18-36-28/h1-13,18-20H,14-17H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone has a molecular weight of 510.06 g/mol, XLogP of 7.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 162654911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).