3-isoquinolin-8-ylcyclohexan-1-one

C15H15NO — CID 103144156

IUPAC3-isoquinolin-8-ylcyclohexan-1-one
SMILESO=C1CCCC(c2cccc3ccncc23)C1
InChIInChI=1S/C15H15NO/c17-13-5-1-4-12(9-13)14-6-2-3-11-7-8-16-10-15(11)14/h2-3,6-8,10,12H,1,4-5,9H2
InChIKeyLOHQFFLTUDXBPC-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.46
Rot. Bonds1

About 3-isoquinolin-8-ylcyclohexan-1-one

3-isoquinolin-8-ylcyclohexan-1-one (PubChem CID 103144156) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-isoquinolin-8-ylcyclohexan-1-one.

Molecular Properties

Compound Name3-isoquinolin-8-ylcyclohexan-1-one
PubChem CID103144156
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-isoquinolin-8-ylcyclohexan-1-one
SMILESO=C1CCCC(c2cccc3ccncc23)C1
InChIInChI=1S/C15H15NO/c17-13-5-1-4-12(9-13)14-6-2-3-11-7-8-16-10-15(11)14/h2-3,6-8,10,12H,1,4-5,9H2
InChIKeyLOHQFFLTUDXBPC-UHFFFAOYSA-N
XLogP3.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-8-ylcyclohexan-1-one?
The IUPAC name of 3-isoquinolin-8-ylcyclohexan-1-one (CID 103144156) is 3-isoquinolin-8-ylcyclohexan-1-one.
What is the SMILES notation for 3-isoquinolin-8-ylcyclohexan-1-one?
The canonical SMILES for 3-isoquinolin-8-ylcyclohexan-1-one is O=C1CCCC(c2cccc3ccncc23)C1.
What is the InChIKey of 3-isoquinolin-8-ylcyclohexan-1-one?
The InChIKey is LOHQFFLTUDXBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-13-5-1-4-12(9-13)14-6-2-3-11-7-8-16-10-15(11)14/h2-3,6-8,10,12H,1,4-5,9H2.
What are the key properties of 3-isoquinolin-8-ylcyclohexan-1-one?
3-isoquinolin-8-ylcyclohexan-1-one has a molecular weight of 225.29 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-8-ylcyclohexan-1-one is sourced from PubChem (CID 103144156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).