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

C17H12ClN3O — CID 26086334

IUPAC(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3O/c18-12-4-3-5-13(10-12)21-17(22)9-8-14-11-19-15-6-1-2-7-16(15)20-14/h1-11H,(H,21,22)/b9-8+
InChIKeyHQUCNEDOUCKLDO-CMDGGOBGSA-N
MW309.76 g/mol
LogP3.94
Rot. Bonds3

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

(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 26086334) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is (E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide
PubChem CID26086334
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC Name(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3O/c18-12-4-3-5-13(10-12)21-17(22)9-8-14-11-19-15-6-1-2-7-16(15)20-14/h1-11H,(H,21,22)/b9-8+
InChIKeyHQUCNEDOUCKLDO-CMDGGOBGSA-N
XLogP3.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78783120
(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)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17392748
(E)-3-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)prop-2-enamide
CID 7733875
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 37348146
1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 84906464
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186
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
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
CID 4883206

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide (CID 26086334) is (E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide is O=C(/C=C/c1cnc2ccccc2n1)Nc1cccc(Cl)c1.
What is the InChIKey of (E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is HQUCNEDOUCKLDO-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H12ClN3O/c18-12-4-3-5-13(10-12)21-17(22)9-8-14-11-19-15-6-1-2-7-16(15)20-14/h1-11H,(H,21,22)/b9-8+.
What are the key properties of (E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 309.76 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 26086334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).