(E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one

C17H12N2O2 — CID 9033180

IUPAC(E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cnc2ccccc2n1)c1cccc(O)c1
InChIInChI=1S/C17H12N2O2/c20-14-5-3-4-12(10-14)17(21)9-8-13-11-18-15-6-1-2-7-16(15)19-13/h1-11,20H/b9-8+
InChIKeyOYSQHZYIMIJVSV-CMDGGOBGSA-N
MW276.30 g/mol
LogP3.23
Rot. Bonds3

About (E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one

(E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one (PubChem CID 9033180) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is (E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
PubChem CID9033180
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name(E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cnc2ccccc2n1)c1cccc(O)c1
InChIInChI=1S/C17H12N2O2/c20-14-5-3-4-12(10-14)17(21)9-8-13-11-18-15-6-1-2-7-16(15)19-13/h1-11,20H/b9-8+
InChIKeyOYSQHZYIMIJVSV-CMDGGOBGSA-N
XLogP3.23
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 9028030
(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78783120
1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 84906464
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 71847025
(E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one
CID 66760009
N,N-dimethyl-2-[4-[(E)-3-quinoxalin-2-ylprop-2-enoyl]phenoxy]acetamide
CID 9033770
(E)-1-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 11662362
1-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 67013230
(E)-1-[4-(4-hydroxyiminopiperidine-1-carbonyl)phenyl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 11531426
(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 33014689
(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26086334

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one (CID 9033180) is (E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one is O=C(/C=C/c1cnc2ccccc2n1)c1cccc(O)c1.
What is the InChIKey of (E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one?
The InChIKey is OYSQHZYIMIJVSV-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-14-5-3-4-12(10-14)17(21)9-8-13-11-18-15-6-1-2-7-16(15)19-13/h1-11,20H/b9-8+.
What are the key properties of (E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one?
(E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one has a molecular weight of 276.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one is sourced from PubChem (CID 9033180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).