4-isoquinolin-5-ylcyclohexan-1-one

C15H15NO — CID 83262300

IUPAC4-isoquinolin-5-ylcyclohexan-1-one
SMILESO=C1CCC(c2cccc3cnccc23)CC1
InChIInChI=1S/C15H15NO/c17-13-6-4-11(5-7-13)14-3-1-2-12-10-16-9-8-15(12)14/h1-3,8-11H,4-7H2
InChIKeyZVWBPUBRDCYJST-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.46
Rot. Bonds1

About 4-isoquinolin-5-ylcyclohexan-1-one

4-isoquinolin-5-ylcyclohexan-1-one (PubChem CID 83262300) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-isoquinolin-5-ylcyclohexan-1-one.

Molecular Properties

Compound Name4-isoquinolin-5-ylcyclohexan-1-one
PubChem CID83262300
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name4-isoquinolin-5-ylcyclohexan-1-one
SMILESO=C1CCC(c2cccc3cnccc23)CC1
InChIInChI=1S/C15H15NO/c17-13-6-4-11(5-7-13)14-3-1-2-12-10-16-9-8-15(12)14/h1-3,8-11H,4-7H2
InChIKeyZVWBPUBRDCYJST-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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Related Compounds

3-isoquinolin-8-ylcyclopentan-1-one
CID 103144157
5-pyrrolidin-3-ylisoquinoline
CID 82607299
5-(3-bromocyclohexyl)isoquinoline
CID 64507153
3-isoquinolin-8-ylcyclohexan-1-one
CID 103144156
4-quinolin-5-ylcyclohexan-1-one
CID 83261338
2-isoquinolin-5-yl-6-methylpiperidin-4-one
CID 82387921
(2-isoquinolin-5-ylcyclopentyl)methanamine
CID 81010560
2-isoquinolin-5-ylcyclohexan-1-amine
CID 62812316
5-[(2S)-pyrrolidin-2-yl]isoquinoline
CID 66518641
2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one
CID 72724048
2-isoquinolin-5-yl-N-methylcyclohexan-1-amine
CID 62812477
4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide
CID 166229437

Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-5-ylcyclohexan-1-one?
The IUPAC name of 4-isoquinolin-5-ylcyclohexan-1-one (CID 83262300) is 4-isoquinolin-5-ylcyclohexan-1-one.
What is the SMILES notation for 4-isoquinolin-5-ylcyclohexan-1-one?
The canonical SMILES for 4-isoquinolin-5-ylcyclohexan-1-one is O=C1CCC(c2cccc3cnccc23)CC1.
What is the InChIKey of 4-isoquinolin-5-ylcyclohexan-1-one?
The InChIKey is ZVWBPUBRDCYJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-13-6-4-11(5-7-13)14-3-1-2-12-10-16-9-8-15(12)14/h1-3,8-11H,4-7H2.
What are the key properties of 4-isoquinolin-5-ylcyclohexan-1-one?
4-isoquinolin-5-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-5-ylcyclohexan-1-one is sourced from PubChem (CID 83262300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).