3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one

C11H11FN2O2 — CID 90101779

IUPAC3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one
SMILESCCc1nc2cc(OC)c(F)cc2[nH]c1=O
InChIInChI=1S/C11H11FN2O2/c1-3-7-11(15)14-8-4-6(12)10(16-2)5-9(8)13-7/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyULRGSRIXWSUSJG-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.63
Rot. Bonds2

About 3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one

3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one (PubChem CID 90101779) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one
PubChem CID90101779
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one
SMILESCCc1nc2cc(OC)c(F)cc2[nH]c1=O
InChIInChI=1S/C11H11FN2O2/c1-3-7-11(15)14-8-4-6(12)10(16-2)5-9(8)13-7/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyULRGSRIXWSUSJG-UHFFFAOYSA-N
XLogP1.63
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one 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

ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one
CID 168995296
6,7-difluoro-3-propyl-1H-quinoxalin-2-one
CID 10537083
7-bromo-3-ethyl-5-fluoro-1H-quinoxalin-2-one
CID 168856768
3-ethyl-6-fluoro-5-methoxy-1H-indole
CID 22356057
3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one
CID 58442705
3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one
CID 158009297
7-(bromomethyl)-3-ethyl-5-methyl-1H-quinoxalin-2-one
CID 169098846
2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline
CID 87401887
1-ethyl-8-[(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-4-methyl-3,4-dihydro-2H-quinoline
CID 15053261
(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine
CID 67360972
5-chloro-6-fluoro-2-methoxy-1H-benzimidazole
CID 131079725
6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one
CID 59874558

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one?
The IUPAC name of 3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one (CID 90101779) is 3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one.
What is the SMILES notation for 3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one?
The canonical SMILES for 3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one is CCc1nc2cc(OC)c(F)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one?
The InChIKey is ULRGSRIXWSUSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-3-7-11(15)14-8-4-6(12)10(16-2)5-9(8)13-7/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one?
3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one has a molecular weight of 222.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one is sourced from PubChem (CID 90101779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).