6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one

C17H14F2N2O — CID 82157494

IUPAC6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
SMILESC=CCN1C(=O)C(c2ccccc2)Nc2cc(F)c(F)cc21
InChIInChI=1S/C17H14F2N2O/c1-2-8-21-15-10-13(19)12(18)9-14(15)20-16(17(21)22)11-6-4-3-5-7-11/h2-7,9-10,16,20H,1,8H2
InChIKeyITOZSCCTYWZQSP-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.65
Rot. Bonds3

About 6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one

6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one (PubChem CID 82157494) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is 6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
PubChem CID82157494
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
SMILESC=CCN1C(=O)C(c2ccccc2)Nc2cc(F)c(F)cc21
InChIInChI=1S/C17H14F2N2O/c1-2-8-21-15-10-13(19)12(18)9-14(15)20-16(17(21)22)11-6-4-3-5-7-11/h2-7,9-10,16,20H,1,8H2
InChIKeyITOZSCCTYWZQSP-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6,7-difluoro-2-oxo-3-phenyl-3,4-dihydroquinoxalin-1-yl)acetonitrile
CID 82157496
3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
CID 82157226
3-phenyl-1-prop-2-enylquinoline-2,4-dione
CID 117066362
1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one
CID 82157142
(3aR,4S,7R,7aS)-4,7-diphenyl-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 691934
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157863
3-(2-methylpropyl)-5-phenylimidazolidine-2,4-dione
CID 84571226
3-ethyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 140541909
6-(2-methylpropyl)-4-phenyl-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 24712350
(4R)-4-phenyl-6-prop-2-enyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7387685
sodium 5-phenyl-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 54600111

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one (CID 82157494) is 6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one is C=CCN1C(=O)C(c2ccccc2)Nc2cc(F)c(F)cc21.
What is the InChIKey of 6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is ITOZSCCTYWZQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O/c1-2-8-21-15-10-13(19)12(18)9-14(15)20-16(17(21)22)11-6-4-3-5-7-11/h2-7,9-10,16,20H,1,8H2.
What are the key properties of 6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one?
6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 300.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).