(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide

C17H13N3O2 — CID 78783120

IUPAC(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)Nc1cccc(O)c1
InChIInChI=1S/C17H13N3O2/c21-14-5-3-4-12(10-14)20-17(22)9-8-13-11-18-15-6-1-2-7-16(15)19-13/h1-11,21H,(H,20,22)/b9-8+
InChIKeyYNRUWOKIGURSDE-CMDGGOBGSA-N
MW291.31 g/mol
LogP2.99
Rot. Bonds3

About (E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide

(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 78783120) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is (E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
PubChem CID78783120
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)Nc1cccc(O)c1
InChIInChI=1S/C17H13N3O2/c21-14-5-3-4-12(10-14)20-17(22)9-8-13-11-18-15-6-1-2-7-16(15)19-13/h1-11,21H,(H,20,22)/b9-8+
InChIKeyYNRUWOKIGURSDE-CMDGGOBGSA-N
XLogP2.99
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26086334
(E)-N-(3-chloro-4-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26695967
N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 76884248
(E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 9033180
N,N'-bis(3-hydroxyphenyl)but-2-enediamide
CID 754651
(E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17392748
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 3371220
(E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26239755
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
CID 4883206
N-(2-propan-2-ylpyrazol-3-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78772196
(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17444738

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide (CID 78783120) is (E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide is O=C(/C=C/c1cnc2ccccc2n1)Nc1cccc(O)c1.
What is the InChIKey of (E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is YNRUWOKIGURSDE-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-14-5-3-4-12(10-14)20-17(22)9-8-13-11-18-15-6-1-2-7-16(15)19-13/h1-11,21H,(H,20,22)/b9-8+.
What are the key properties of (E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 291.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 78783120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).