7-fluoro-1-methyl-8-prop-2-enylquinoxalin-2-one

C12H11FN2O — CID 142490523

IUPAC7-fluoro-1-methyl-8-prop-2-enylquinoxalin-2-one
SMILESC=CCc1c(F)ccc2ncc(=O)n(C)c12
InChIInChI=1S/C12H11FN2O/c1-3-4-8-9(13)5-6-10-12(8)15(2)11(16)7-14-10/h3,5-7H,1,4H2,2H3
InChIKeyWBCZSEIUIAPBSI-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.80
Rot. Bonds2

About 7-fluoro-1-methyl-8-prop-2-enylquinoxalin-2-one

7-fluoro-1-methyl-8-prop-2-enylquinoxalin-2-one (PubChem CID 142490523) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 7-fluoro-1-methyl-8-prop-2-enylquinoxalin-2-one.

Molecular Properties

Compound Name7-fluoro-1-methyl-8-prop-2-enylquinoxalin-2-one
PubChem CID142490523
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name7-fluoro-1-methyl-8-prop-2-enylquinoxalin-2-one
SMILESC=CCc1c(F)ccc2ncc(=O)n(C)c12
InChIInChI=1S/C12H11FN2O/c1-3-4-8-9(13)5-6-10-12(8)15(2)11(16)7-14-10/h3,5-7H,1,4H2,2H3
InChIKeyWBCZSEIUIAPBSI-UHFFFAOYSA-N
XLogP1.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1,2-dihydroquinoxalin-2-one
CID 351429
Ro 5-3438
CID 193319
1-[(4-Tert-butylphenyl)methyl]quinoxalin-2-one
CID 9114254
1,3,6,7-tetramethyl-2(1H)-quinoxalinone
CID 848831
1-[[2-(Trifluoromethyl)phenyl]methyl]quinoxalin-2-one
CID 9441925
1-Cyclohexylmethyl-1H-quinoxalin-2-one
CID 654628
6-Dipropylamino-6,7-dihydro-5H-pyrido[1,2,3-de]quinoxalin-3-one
CID 15744961
N-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide
CID 2511626
3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylquinoxalin-2-one
CID 5741119
N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 24687167
2(1H)-Quinoxalinone, 3-methyl-1-(phenylmethyl)-
CID 1216297
1-Benzyl-1H-quinoxalin-2-one
CID 9369523

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-8-prop-2-enylquinoxalin-2-one?
The IUPAC name of 7-fluoro-1-methyl-8-prop-2-enylquinoxalin-2-one (CID 142490523) is 7-fluoro-1-methyl-8-prop-2-enylquinoxalin-2-one.
What is the SMILES notation for 7-fluoro-1-methyl-8-prop-2-enylquinoxalin-2-one?
The canonical SMILES for 7-fluoro-1-methyl-8-prop-2-enylquinoxalin-2-one is C=CCc1c(F)ccc2ncc(=O)n(C)c12.
What is the InChIKey of 7-fluoro-1-methyl-8-prop-2-enylquinoxalin-2-one?
The InChIKey is WBCZSEIUIAPBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-3-4-8-9(13)5-6-10-12(8)15(2)11(16)7-14-10/h3,5-7H,1,4H2,2H3.
What are the key properties of 7-fluoro-1-methyl-8-prop-2-enylquinoxalin-2-one?
7-fluoro-1-methyl-8-prop-2-enylquinoxalin-2-one has a molecular weight of 218.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-8-prop-2-enylquinoxalin-2-one is sourced from PubChem (CID 142490523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).