N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide

C21H16FN5O — CID 71885790

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(C=Cc1cnc2ccccc2n1)NCc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C21H16FN5O/c22-17-11-15(5-7-20(17)27-10-9-23-14-27)12-25-21(28)8-6-16-13-24-18-3-1-2-4-19(18)26-16/h1-11,13-14H,12H2,(H,25,28)
InChIKeyABPHEFJUZAUWDE-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.28
Rot. Bonds5

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 71885790) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
PubChem CID71885790
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(C=Cc1cnc2ccccc2n1)NCc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C21H16FN5O/c22-17-11-15(5-7-20(17)27-10-9-23-14-27)12-25-21(28)8-6-16-13-24-18-3-1-2-4-19(18)26-16/h1-11,13-14H,12H2,(H,25,28)
InChIKeyABPHEFJUZAUWDE-UHFFFAOYSA-N
XLogP3.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide 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)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 60584791
(E)-3-(2,4-dimethoxyphenyl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 60585064
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 47983114
4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 60584832
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
CID 47406236
cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 95192041
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86843766
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-methylurea
CID 136521324
(E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 27172047
3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea
CID 166194769
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119863400
1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 49127727

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide (CID 71885790) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide is O=C(C=Cc1cnc2ccccc2n1)NCc1ccc(-n2ccnc2)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is ABPHEFJUZAUWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c22-17-11-15(5-7-20(17)27-10-9-23-14-27)12-25-21(28)8-6-16-13-24-18-3-1-2-4-19(18)26-16/h1-11,13-14H,12H2,(H,25,28).
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 373.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 71885790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).