(E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one

C18H12BrNO2 — CID 6150224

IUPAC(E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc2ccccc2n1)c1cc(Br)ccc1O
InChIInChI=1S/C18H12BrNO2/c19-13-6-9-17(21)15(11-13)18(22)10-8-14-7-5-12-3-1-2-4-16(12)20-14/h1-11,21H/b10-8+
InChIKeyMBKBAUMSSHUEGN-CSKARUKUSA-N
MW354.20 g/mol
LogP4.60
Rot. Bonds3

About (E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one

(E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one (PubChem CID 6150224) has the molecular formula C18H12BrNO2 and a molecular weight of 354.20 g/mol. Its IUPAC name is (E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one
PubChem CID6150224
Molecular FormulaC18H12BrNO2
Molecular Weight354.20 g/mol
Exact Mass353.01
IUPAC Name(E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc2ccccc2n1)c1cc(Br)ccc1O
InChIInChI=1S/C18H12BrNO2/c19-13-6-9-17(21)15(11-13)18(22)10-8-14-7-5-12-3-1-2-4-16(12)20-14/h1-11,21H/b10-8+
InChIKeyMBKBAUMSSHUEGN-CSKARUKUSA-N
XLogP4.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one (CID 6150224) is (E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one is O=C(/C=C/c1ccc2ccccc2n1)c1cc(Br)ccc1O.
What is the InChIKey of (E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one?
The InChIKey is MBKBAUMSSHUEGN-CSKARUKUSA-N. The full InChI is InChI=1S/C18H12BrNO2/c19-13-6-9-17(21)15(11-13)18(22)10-8-14-7-5-12-3-1-2-4-16(12)20-14/h1-11,21H/b10-8+.
What are the key properties of (E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one?
(E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one has a molecular weight of 354.20 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-bromo-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one is sourced from PubChem (CID 6150224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).