[4-(4-hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone

C27H25N3O2 — CID 2349590

IUPAC[4-(4-hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(O)cc4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C27H25N3O2/c1-19-6-8-20(9-7-19)26-18-24(23-4-2-3-5-25(23)28-26)27(32)30-16-14-29(15-17-30)21-10-12-22(31)13-11-21/h2-13,18,31H,14-17H2,1H3
InChIKeyDQSNOLISUKFBJO-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.88
Rot. Bonds3

About [4-(4-hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone

[4-(4-hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone (PubChem CID 2349590) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
PubChem CID2349590
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name[4-(4-hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(O)cc4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C27H25N3O2/c1-19-6-8-20(9-7-19)26-18-24(23-4-2-3-5-25(23)28-26)27(32)30-16-14-29(15-17-30)21-10-12-22(31)13-11-21/h2-13,18,31H,14-17H2,1H3
InChIKeyDQSNOLISUKFBJO-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-(4-hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone?
The IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone (CID 2349590) is [4-(4-hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(O)cc4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of [4-(4-hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone?
The InChIKey is DQSNOLISUKFBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-19-6-8-20(9-7-19)26-18-24(23-4-2-3-5-25(23)28-26)27(32)30-16-14-29(15-17-30)21-10-12-22(31)13-11-21/h2-13,18,31H,14-17H2,1H3.
What are the key properties of [4-(4-hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone?
[4-(4-hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-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-(4-hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone is sourced from PubChem (CID 2349590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).