3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one

C17H12N2O — CID 72520418

IUPAC3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1cnc2ccccc2n1
InChIInChI=1S/C17H12N2O/c20-17(11-10-13-6-2-1-3-7-13)16-12-18-14-8-4-5-9-15(14)19-16/h1-12H
InChIKeyVCPBOUNQSXCOJN-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.53
Rot. Bonds3

About 3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one

3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one (PubChem CID 72520418) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one
PubChem CID72520418
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1cnc2ccccc2n1
InChIInChI=1S/C17H12N2O/c20-17(11-10-13-6-2-1-3-7-13)16-12-18-14-8-4-5-9-15(14)19-16/h1-12H
InChIKeyVCPBOUNQSXCOJN-UHFFFAOYSA-N
XLogP3.53
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-phenyl-1-quinoxalin-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

Related Compounds

(E)-3-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylprop-2-en-1-one
CID 59113326
(E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one
CID 23656826
(E)-3-(1,3-benzodioxol-5-yl)-1-quinoxalin-2-ylprop-2-en-1-one
CID 59113332
(2Z)-2-hydroxyimino-1-quinoxalin-2-ylethanone
CID 27191067
3-phenyl-1-quinazolin-2-ylprop-2-en-1-one
CID 174920996
(E)-3-phenyl-1-(4-quinoxalin-2-ylcyclohexa-1,3-dien-1-yl)prop-2-en-1-one
CID 145210922
(4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate
CID 1254915
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
3-phenyl-N-quinolin-3-ylprop-2-enamide
CID 4000416
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one?
The IUPAC name of 3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one (CID 72520418) is 3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one?
The canonical SMILES for 3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one is O=C(C=Cc1ccccc1)c1cnc2ccccc2n1.
What is the InChIKey of 3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one?
The InChIKey is VCPBOUNQSXCOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c20-17(11-10-13-6-2-1-3-7-13)16-12-18-14-8-4-5-9-15(14)19-16/h1-12H.
What are the key properties of 3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one?
3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one has a molecular weight of 260.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one is sourced from PubChem (CID 72520418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).