[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C27H24ClN3O — CID 2220935

IUPAC[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C27H24ClN3O/c1-19-8-7-12-21-23(18-25(29-26(19)21)22-11-5-6-13-24(22)28)27(32)31-16-14-30(15-17-31)20-9-3-2-4-10-20/h2-13,18H,14-17H2,1H3
InChIKeyZPJZHALLJNSPGR-UHFFFAOYSA-N
MW441.96 g/mol
LogP5.83
Rot. Bonds3

About [2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2220935) has the molecular formula C27H24ClN3O and a molecular weight of 441.96 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID2220935
Molecular FormulaC27H24ClN3O
Molecular Weight441.96 g/mol
Exact Mass441.16
IUPAC Name[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C27H24ClN3O/c1-19-8-7-12-21-23(18-25(29-26(19)21)22-11-5-6-13-24(22)28)27(32)31-16-14-30(15-17-31)20-9-3-2-4-10-20/h2-13,18H,14-17H2,1H3
InChIKeyZPJZHALLJNSPGR-UHFFFAOYSA-N
XLogP5.83
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.96
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1023295
(8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17371778
(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17372354
[2-(2,5-dimethylphenyl)-8-methylquinolin-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 17373098
(6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1257141
[2-(2-chlorophenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42749654
(2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 46383049
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone
CID 162654911
[4-[2-(2-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
CID 3532742
(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986
[8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330795
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 46920414

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 2220935) is [2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1cccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3ccccc3Cl)nc12.
What is the InChIKey of [2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is ZPJZHALLJNSPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O/c1-19-8-7-12-21-23(18-25(29-26(19)21)22-11-5-6-13-24(22)28)27(32)31-16-14-30(15-17-31)20-9-3-2-4-10-20/h2-13,18H,14-17H2,1H3.
What are the key properties of [2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 441.96 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2220935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).