(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone

C27H24ClN3O — CID 17372354

IUPAC(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1c(Cl)ccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C27H24ClN3O/c1-19-24(28)13-12-22-23(18-25(29-26(19)22)20-8-4-2-5-9-20)27(32)31-16-14-30(15-17-31)21-10-6-3-7-11-21/h2-13,18H,14-17H2,1H3
InChIKeyFIBWMKBGXYAGDC-UHFFFAOYSA-N
MW441.96 g/mol
LogP5.83
Rot. Bonds3

About (7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone

(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 17372354) has the molecular formula C27H24ClN3O and a molecular weight of 441.96 g/mol. Its IUPAC name is (7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID17372354
Molecular FormulaC27H24ClN3O
Molecular Weight441.96 g/mol
Exact Mass441.16
IUPAC Name(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1c(Cl)ccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C27H24ClN3O/c1-19-24(28)13-12-22-23(18-25(29-26(19)22)20-8-4-2-5-9-20)27(32)31-16-14-30(15-17-31)21-10-6-3-7-11-21/h2-13,18H,14-17H2,1H3
InChIKeyFIBWMKBGXYAGDC-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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Frequently Asked Questions

What is the IUPAC name of (7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone (CID 17372354) is (7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1c(Cl)ccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3ccccc3)nc12.
What is the InChIKey of (7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is FIBWMKBGXYAGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O/c1-19-24(28)13-12-22-23(18-25(29-26(19)22)20-8-4-2-5-9-20)27(32)31-16-14-30(15-17-31)21-10-6-3-7-11-21/h2-13,18H,14-17H2,1H3.
What are the key properties of (7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
(7-chloro-8-methyl-2-phenylquinolin-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 (7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 17372354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).