4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one

C16H22N2O2 — CID 115097958

IUPAC4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
SMILESCCN1c2c(cccc2OC)NC(=O)C12CCCCC2
InChIInChI=1S/C16H22N2O2/c1-3-18-14-12(8-7-9-13(14)20-2)17-15(19)16(18)10-5-4-6-11-16/h7-9H,3-6,10-11H2,1-2H3,(H,17,19)
InChIKeyFGCJOFOBQZWFPB-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.18
Rot. Bonds2

About 4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one

4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one (PubChem CID 115097958) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
PubChem CID115097958
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
SMILESCCN1c2c(cccc2OC)NC(=O)C12CCCCC2
InChIInChI=1S/C16H22N2O2/c1-3-18-14-12(8-7-9-13(14)20-2)17-15(19)16(18)10-5-4-6-11-16/h7-9H,3-6,10-11H2,1-2H3,(H,17,19)
InChIKeyFGCJOFOBQZWFPB-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097285
4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115096911
4-ethyl-6-fluorospiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098183
4-ethyl-6-hydroxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098187
4-ethyl-8-fluorospiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098036
8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one
CID 115097570
4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55628491
8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one
CID 115097204
8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one
CID 115097235

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one?
The IUPAC name of 4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one (CID 115097958) is 4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one?
The canonical SMILES for 4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one is CCN1c2c(cccc2OC)NC(=O)C12CCCCC2.
What is the InChIKey of 4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one?
The InChIKey is FGCJOFOBQZWFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-18-14-12(8-7-9-13(14)20-2)17-15(19)16(18)10-5-4-6-11-16/h7-9H,3-6,10-11H2,1-2H3,(H,17,19).
What are the key properties of 4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one?
4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one has a molecular weight of 274.36 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 115097958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).