[(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone

C17H18N2O — CID 106655939

IUPAC[(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone
SMILESO=C(/C1=C/CCCCCC1)c1cccc2nccnc12
InChIInChI=1S/C17H18N2O/c20-17(13-7-4-2-1-3-5-8-13)14-9-6-10-15-16(14)19-12-11-18-15/h6-7,9-12H,1-5,8H2/b13-7+
InChIKeyRDYMPABUTHJFEC-NTUHNPAUSA-N
MW266.34 g/mol
LogP4.09
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone

[(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone (PubChem CID 106655939) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone
PubChem CID106655939
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name[(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone
SMILESO=C(/C1=C/CCCCCC1)c1cccc2nccnc12
InChIInChI=1S/C17H18N2O/c20-17(13-7-4-2-1-3-5-8-13)14-9-6-10-15-16(14)19-12-11-18-15/h6-7,9-12H,1-5,8H2/b13-7+
InChIKeyRDYMPABUTHJFEC-NTUHNPAUSA-N
XLogP4.09
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone 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

cyclohexen-1-yl(quinoxalin-5-yl)methanone
CID 106656102
[(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone
CID 106655937
[(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone
CID 106651853
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
cyclohexen-1-yl(pyrimidin-2-yl)methanone
CID 106651764
(2-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 107984675
cyclohexen-1-yl-(2-methylphenyl)methanone
CID 62078822
(2-amino-3-pyridinyl)-(cyclopenten-1-yl)methanone
CID 103448139
cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
CID 103450510
cyclohepten-1-yl(pyrazin-2-yl)methanone
CID 103450557
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone
CID 106652041
cyclopenten-1-yl-(2,3-dimethylphenyl)methanone
CID 62080312

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone?
The IUPAC name of [(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone (CID 106655939) is [(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone?
The canonical SMILES for [(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone is O=C(/C1=C/CCCCCC1)c1cccc2nccnc12.
What is the InChIKey of [(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone?
The InChIKey is RDYMPABUTHJFEC-NTUHNPAUSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17(13-7-4-2-1-3-5-8-13)14-9-6-10-15-16(14)19-12-11-18-15/h6-7,9-12H,1-5,8H2/b13-7+.
What are the key properties of [(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone?
[(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone has a molecular weight of 266.34 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone is sourced from PubChem (CID 106655939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).