1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one

C17H13FN2O2 — CID 95921163

IUPAC1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(CC(=O)c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H13FN2O2/c1-11-17(22)20(15-5-3-2-4-14(15)19-11)10-16(21)12-6-8-13(18)9-7-12/h2-9H,10H2,1H3
InChIKeySSVONYUXFZCCEV-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.73
Rot. Bonds3

About 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one

1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one (PubChem CID 95921163) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one
PubChem CID95921163
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(CC(=O)c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H13FN2O2/c1-11-17(22)20(15-5-3-2-4-14(15)19-11)10-16(21)12-6-8-13(18)9-7-12/h2-9H,10H2,1H3
InChIKeySSVONYUXFZCCEV-UHFFFAOYSA-N
XLogP2.73
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one (CID 95921163) is 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one is Cc1nc2ccccc2n(CC(=O)c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one?
The InChIKey is SSVONYUXFZCCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-11-17(22)20(15-5-3-2-4-14(15)19-11)10-16(21)12-6-8-13(18)9-7-12/h2-9H,10H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one?
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one has a molecular weight of 296.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one is sourced from PubChem (CID 95921163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).