[(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone

C18H19NO — CID 106655937

IUPAC[(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone
SMILESO=C(/C1=C/CCCCCC1)c1ccnc2ccccc12
InChIInChI=1S/C18H19NO/c20-18(14-8-4-2-1-3-5-9-14)16-12-13-19-17-11-7-6-10-15(16)17/h6-8,10-13H,1-5,9H2/b14-8+
InChIKeyPKKHWFNHRBADJG-RIYZIHGNSA-N
MW265.36 g/mol
LogP4.70
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone

[(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone (PubChem CID 106655937) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone
PubChem CID106655937
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name[(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone
SMILESO=C(/C1=C/CCCCCC1)c1ccnc2ccccc12
InChIInChI=1S/C18H19NO/c20-18(14-8-4-2-1-3-5-9-14)16-12-13-19-17-11-7-6-10-15(16)17/h6-8,10-13H,1-5,9H2/b14-8+
InChIKeyPKKHWFNHRBADJG-RIYZIHGNSA-N
XLogP4.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone
CID 106655939
cyclohexen-1-yl(quinoxalin-5-yl)methanone
CID 106656102
cyclohepten-1-yl(quinoxalin-2-yl)methanone
CID 107356849
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
(4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone
CID 106655642
cyclohexen-1-yl(pyrimidin-2-yl)methanone
CID 106651764
cyclohepten-1-yl(quinolin-2-yl)methanone
CID 106651833
[(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone
CID 106651853
cyclohexen-1-yl-(2-methylphenyl)methanone
CID 62078822
cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
CID 103450510
(4-iodophenyl)-quinolin-4-ylmethanone
CID 86811146
1,2-oxazolidin-2-yl(quinolin-4-yl)methanone
CID 113375772

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone?
The IUPAC name of [(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone (CID 106655937) is [(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone?
The canonical SMILES for [(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone is O=C(/C1=C/CCCCCC1)c1ccnc2ccccc12.
What is the InChIKey of [(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone?
The InChIKey is PKKHWFNHRBADJG-RIYZIHGNSA-N. The full InChI is InChI=1S/C18H19NO/c20-18(14-8-4-2-1-3-5-9-14)16-12-13-19-17-11-7-6-10-15(16)17/h6-8,10-13H,1-5,9H2/b14-8+.
What are the key properties of [(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone?
[(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone has a molecular weight of 265.36 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone is sourced from PubChem (CID 106655937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).