(E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide

C18H14FN3O — CID 26239755

IUPAC(E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESCc1cc(F)ccc1NC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C18H14FN3O/c1-12-10-13(19)6-8-15(12)22-18(23)9-7-14-11-20-16-4-2-3-5-17(16)21-14/h2-11H,1H3,(H,22,23)/b9-7+
InChIKeyMWAFMEOQJSDNGK-VQHVLOKHSA-N
MW307.33 g/mol
LogP3.73
Rot. Bonds3

About (E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide

(E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 26239755) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is (E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide
PubChem CID26239755
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name(E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESCc1cc(F)ccc1NC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C18H14FN3O/c1-12-10-13(19)6-8-15(12)22-18(23)9-7-14-11-20-16-4-2-3-5-17(16)21-14/h2-11H,1H3,(H,22,23)/b9-7+
InChIKeyMWAFMEOQJSDNGK-VQHVLOKHSA-N
XLogP3.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.73
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

3-(1,3-benzothiazol-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide
CID 4806053
(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17444738
(E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17392748
(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-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 37348146
(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78783120
(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 8863833
(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26086334
(E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 26177460
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 3371220
(E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 29292187

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide (CID 26239755) is (E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide is Cc1cc(F)ccc1NC(=O)/C=C/c1cnc2ccccc2n1.
What is the InChIKey of (E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is MWAFMEOQJSDNGK-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H14FN3O/c1-12-10-13(19)6-8-15(12)22-18(23)9-7-14-11-20-16-4-2-3-5-17(16)21-14/h2-11H,1H3,(H,22,23)/b9-7+.
What are the key properties of (E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 307.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 26239755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).