4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one

C12H13FN2O — CID 115096911

IUPAC4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
SMILESCCN1c2c(F)cccc2NC(=O)C12CC2
InChIInChI=1S/C12H13FN2O/c1-2-15-10-8(13)4-3-5-9(10)14-11(16)12(15)6-7-12/h3-5H,2,6-7H2,1H3,(H,14,16)
InChIKeyWDBKIMRALMUUJJ-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.14
Rot. Bonds1

About 4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one

4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one (PubChem CID 115096911) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
PubChem CID115096911
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
SMILESCCN1c2c(F)cccc2NC(=O)C12CC2
InChIInChI=1S/C12H13FN2O/c1-2-15-10-8(13)4-3-5-9(10)14-11(16)12(15)6-7-12/h3-5H,2,6-7H2,1H3,(H,14,16)
InChIKeyWDBKIMRALMUUJJ-UHFFFAOYSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-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

4-ethyl-5-methylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097630
5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097277
5-bromo-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097278
4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115097958
4-ethyl-8-fluorospiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098036
5-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097635
4-ethyl-6-fluorospiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098183
5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115096887
1-ethyl-8-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095078
4-ethyl-6-hydroxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098187
5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097275
1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one
CID 115095003

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one?
The IUPAC name of 4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one (CID 115096911) is 4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one?
The canonical SMILES for 4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one is CCN1c2c(F)cccc2NC(=O)C12CC2.
What is the InChIKey of 4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one?
The InChIKey is WDBKIMRALMUUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-2-15-10-8(13)4-3-5-9(10)14-11(16)12(15)6-7-12/h3-5H,2,6-7H2,1H3,(H,14,16).
What are the key properties of 4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one?
4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one has a molecular weight of 220.25 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 115096911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).