[(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone

C17H18N2O — CID 106651853

IUPAC[(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone
SMILESO=C(/C1=C/CCCCCC1)c1ccc2nccnc2c1
InChIInChI=1S/C17H18N2O/c20-17(13-6-4-2-1-3-5-7-13)14-8-9-15-16(12-14)19-11-10-18-15/h6,8-12H,1-5,7H2/b13-6+
InChIKeyLTWZQQDMBSQSPI-AWNIVKPZSA-N
MW266.34 g/mol
LogP4.09
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone

[(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 106651853) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone
PubChem CID106651853
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name[(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone
SMILESO=C(/C1=C/CCCCCC1)c1ccc2nccnc2c1
InChIInChI=1S/C17H18N2O/c20-17(13-6-4-2-1-3-5-7-13)14-8-9-15-16(12-14)19-11-10-18-15/h6,8-12H,1-5,7H2/b13-6+
InChIKeyLTWZQQDMBSQSPI-AWNIVKPZSA-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

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Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone (CID 106651853) is [(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone is O=C(/C1=C/CCCCCC1)c1ccc2nccnc2c1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is LTWZQQDMBSQSPI-AWNIVKPZSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17(13-6-4-2-1-3-5-7-13)14-8-9-15-16(12-14)19-11-10-18-15/h6,8-12H,1-5,7H2/b13-6+.
What are the key properties of [(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone?
[(1E)-cycloocten-1-yl]-quinoxalin-6-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-6-ylmethanone is sourced from PubChem (CID 106651853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).