[2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

C30H27Cl2N3O — CID 4247332

IUPAC[2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C30H27Cl2N3O/c1-21-28(25-11-5-6-12-27(25)33-29(21)24-14-13-23(31)20-26(24)32)30(36)35-18-16-34(17-19-35)15-7-10-22-8-3-2-4-9-22/h2-14,20H,15-19H2,1H3
InChIKeyOHADQNYKEDUUNC-UHFFFAOYSA-N
MW516.47 g/mol
LogP6.99
Rot. Bonds5

About [2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

[2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (PubChem CID 4247332) has the molecular formula C30H27Cl2N3O and a molecular weight of 516.47 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
PubChem CID4247332
Molecular FormulaC30H27Cl2N3O
Molecular Weight516.47 g/mol
Exact Mass515.15
IUPAC Name[2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C30H27Cl2N3O/c1-21-28(25-11-5-6-12-27(25)33-29(21)24-14-13-23(31)20-26(24)32)30(36)35-18-16-34(17-19-35)15-7-10-22-8-3-2-4-9-22/h2-14,20H,15-19H2,1H3
InChIKeyOHADQNYKEDUUNC-UHFFFAOYSA-N
XLogP6.99
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.47
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-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-(4-methoxyphenyl)-3-methylquinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6105008
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]methanone
CID 4094503
(4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone
CID 1023261
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-phenylprop-2-enyl)-1,4-diazepan-1-yl]methanone
CID 23771045
[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6267807
(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734
(2,6-dichloro-4-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78768431
(5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 146074977
2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide
CID 4245639
[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 43928402
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458
2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4112030

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (CID 4247332) is [2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of [2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The InChIKey is OHADQNYKEDUUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl2N3O/c1-21-28(25-11-5-6-12-27(25)33-29(21)24-14-13-23(31)20-26(24)32)30(36)35-18-16-34(17-19-35)15-7-10-22-8-3-2-4-9-22/h2-14,20H,15-19H2,1H3.
What are the key properties of [2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
[2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone has a molecular weight of 516.47 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4247332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).