[4-(2-hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone

C27H25N3O2 — CID 24687428

IUPAC[4-(2-hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCN(c4ccccc4O)CC3)c2c1
InChIInChI=1S/C27H25N3O2/c1-19-11-12-23-21(17-19)22(18-24(28-23)20-7-3-2-4-8-20)27(32)30-15-13-29(14-16-30)25-9-5-6-10-26(25)31/h2-12,17-18,31H,13-16H2,1H3
InChIKeyDWRCYMIUBOZBTC-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.88
Rot. Bonds3

About [4-(2-hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone

[4-(2-hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone (PubChem CID 24687428) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is [4-(2-hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone
PubChem CID24687428
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name[4-(2-hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCN(c4ccccc4O)CC3)c2c1
InChIInChI=1S/C27H25N3O2/c1-19-11-12-23-21(17-19)22(18-24(28-23)20-7-3-2-4-8-20)27(32)30-15-13-29(14-16-30)25-9-5-6-10-26(25)31/h2-12,17-18,31H,13-16H2,1H3
InChIKeyDWRCYMIUBOZBTC-UHFFFAOYSA-N
XLogP4.88
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone?
The IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone (CID 24687428) is [4-(2-hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone?
The canonical SMILES for [4-(2-hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone is Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCN(c4ccccc4O)CC3)c2c1.
What is the InChIKey of [4-(2-hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone?
The InChIKey is DWRCYMIUBOZBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-19-11-12-23-21(17-19)22(18-24(28-23)20-7-3-2-4-8-20)27(32)30-15-13-29(14-16-30)25-9-5-6-10-26(25)31/h2-12,17-18,31H,13-16H2,1H3.
What are the key properties of [4-(2-hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone?
[4-(2-hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone has a molecular weight of 423.52 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone is sourced from PubChem (CID 24687428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).