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

C21H20ClN3O — CID 27535973

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c2ccccc2n1
InChIInChI=1S/C21H20ClN3O/c1-15-14-17(16-6-2-4-8-19(16)23-15)21(26)25-12-10-24(11-13-25)20-9-5-3-7-18(20)22/h2-9,14H,10-13H2,1H3
InChIKeyZQHUXSMXNQNZQX-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.16
Rot. Bonds2

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

[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone (PubChem CID 27535973) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
PubChem CID27535973
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c2ccccc2n1
InChIInChI=1S/C21H20ClN3O/c1-15-14-17(16-6-2-4-8-19(16)23-15)21(26)25-12-10-24(11-13-25)20-9-5-3-7-18(20)22/h2-9,14H,10-13H2,1H3
InChIKeyZQHUXSMXNQNZQX-UHFFFAOYSA-N
XLogP4.16
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone (CID 27535973) is [4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c2ccccc2n1.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone?
The InChIKey is ZQHUXSMXNQNZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-15-14-17(16-6-2-4-8-19(16)23-15)21(26)25-12-10-24(11-13-25)20-9-5-3-7-18(20)22/h2-9,14H,10-13H2,1H3.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone has a molecular weight of 365.86 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 27535973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).