4-isoquinolin-3-ylcyclohexan-1-one

C15H15NO — CID 59906403

IUPAC4-isoquinolin-3-ylcyclohexan-1-one
SMILESO=C1CCC(c2cc3ccccc3cn2)CC1
InChIInChI=1S/C15H15NO/c17-14-7-5-11(6-8-14)15-9-12-3-1-2-4-13(12)10-16-15/h1-4,9-11H,5-8H2
InChIKeyMOSVJQLGBXJCDZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.46
Rot. Bonds1

About 4-isoquinolin-3-ylcyclohexan-1-one

4-isoquinolin-3-ylcyclohexan-1-one (PubChem CID 59906403) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-isoquinolin-3-ylcyclohexan-1-one.

Molecular Properties

Compound Name4-isoquinolin-3-ylcyclohexan-1-one
PubChem CID59906403
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name4-isoquinolin-3-ylcyclohexan-1-one
SMILESO=C1CCC(c2cc3ccccc3cn2)CC1
InChIInChI=1S/C15H15NO/c17-14-7-5-11(6-8-14)15-9-12-3-1-2-4-13(12)10-16-15/h1-4,9-11H,5-8H2
InChIKeyMOSVJQLGBXJCDZ-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 4-isoquinolin-3-ylcyclohexan-1-one?
The IUPAC name of 4-isoquinolin-3-ylcyclohexan-1-one (CID 59906403) is 4-isoquinolin-3-ylcyclohexan-1-one.
What is the SMILES notation for 4-isoquinolin-3-ylcyclohexan-1-one?
The canonical SMILES for 4-isoquinolin-3-ylcyclohexan-1-one is O=C1CCC(c2cc3ccccc3cn2)CC1.
What is the InChIKey of 4-isoquinolin-3-ylcyclohexan-1-one?
The InChIKey is MOSVJQLGBXJCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-14-7-5-11(6-8-14)15-9-12-3-1-2-4-13(12)10-16-15/h1-4,9-11H,5-8H2.
What are the key properties of 4-isoquinolin-3-ylcyclohexan-1-one?
4-isoquinolin-3-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 4-isoquinolin-3-ylcyclohexan-1-one is sourced from PubChem (CID 59906403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).