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

C26H22BrN3O2 — CID 24686846

IUPAC[2-(4-bromophenyl)quinolin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C26H22BrN3O2/c27-19-11-9-18(10-12-19)23-17-21(20-5-1-2-6-22(20)28-23)26(32)30-15-13-29(14-16-30)24-7-3-4-8-25(24)31/h1-12,17,31H,13-16H2
InChIKeyRBRLGTLGTUBHPM-UHFFFAOYSA-N
MW488.39 g/mol
LogP5.33
Rot. Bonds3

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

[2-(4-bromophenyl)quinolin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 24686846) has the molecular formula C26H22BrN3O2 and a molecular weight of 488.39 g/mol. Its IUPAC name is [2-(4-bromophenyl)quinolin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)quinolin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID24686846
Molecular FormulaC26H22BrN3O2
Molecular Weight488.39 g/mol
Exact Mass487.09
IUPAC Name[2-(4-bromophenyl)quinolin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C26H22BrN3O2/c27-19-11-9-18(10-12-19)23-17-21(20-5-1-2-6-22(20)28-23)26(32)30-15-13-29(14-16-30)24-7-3-4-8-25(24)31/h1-12,17,31H,13-16H2
InChIKeyRBRLGTLGTUBHPM-UHFFFAOYSA-N
XLogP5.33
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.39
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)quinolin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(4-bromophenyl)quinolin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (CID 24686846) is [2-(4-bromophenyl)quinolin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-bromophenyl)quinolin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(4-bromophenyl)quinolin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of [2-(4-bromophenyl)quinolin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is RBRLGTLGTUBHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrN3O2/c27-19-11-9-18(10-12-19)23-17-21(20-5-1-2-6-22(20)28-23)26(32)30-15-13-29(14-16-30)24-7-3-4-8-25(24)31/h1-12,17,31H,13-16H2.
What are the key properties of [2-(4-bromophenyl)quinolin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
[2-(4-bromophenyl)quinolin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 488.39 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)quinolin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24686846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).