1-isoquinolin-8-yl-2-methylcyclopentan-1-ol

C15H17NO — CID 103142880

IUPAC1-isoquinolin-8-yl-2-methylcyclopentan-1-ol
SMILESCC1CCCC1(O)c1cccc2ccncc12
InChIInChI=1S/C15H17NO/c1-11-4-3-8-15(11,17)14-6-2-5-12-7-9-16-10-13(12)14/h2,5-7,9-11,17H,3-4,8H2,1H3
InChIKeyROOBNAWKCIWXOH-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.24
Rot. Bonds1

About 1-isoquinolin-8-yl-2-methylcyclopentan-1-ol

1-isoquinolin-8-yl-2-methylcyclopentan-1-ol (PubChem CID 103142880) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-isoquinolin-8-yl-2-methylcyclopentan-1-ol
PubChem CID103142880
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-isoquinolin-8-yl-2-methylcyclopentan-1-ol
SMILESCC1CCCC1(O)c1cccc2ccncc12
InChIInChI=1S/C15H17NO/c1-11-4-3-8-15(11,17)14-6-2-5-12-7-9-16-10-13(12)14/h2,5-7,9-11,17H,3-4,8H2,1H3
InChIKeyROOBNAWKCIWXOH-UHFFFAOYSA-N
XLogP3.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 103143064
1-isoquinolin-8-ylcyclopentane-1-carboxylic acid
CID 117355312
2-methyl-1-pyridin-3-ylcyclopentan-1-ol
CID 65049879
1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine
CID 103143267
1-isoquinolin-8-ylcyclohex-2-en-1-ol
CID 103143104
1-isoquinolin-5-yl-4-methylcycloheptan-1-ol
CID 65084645
1-isoquinolin-8-ylcyclohexan-1-amine
CID 103143187
1-isoquinolin-8-yl-2,3-dihydroinden-1-ol
CID 103142663
trans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol
CID 14320166
cis-(1S,2S)-2-methyl-1-(2-methylphenyl)cyclohexan-1-ol
CID 21153344
7-isoquinolin-8-yl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171956058
tert-butyl 3-hydroxy-3-isoquinolin-8-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171956051

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-2-methylcyclopentan-1-ol?
The IUPAC name of 1-isoquinolin-8-yl-2-methylcyclopentan-1-ol (CID 103142880) is 1-isoquinolin-8-yl-2-methylcyclopentan-1-ol.
What is the SMILES notation for 1-isoquinolin-8-yl-2-methylcyclopentan-1-ol?
The canonical SMILES for 1-isoquinolin-8-yl-2-methylcyclopentan-1-ol is CC1CCCC1(O)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-yl-2-methylcyclopentan-1-ol?
The InChIKey is ROOBNAWKCIWXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-4-3-8-15(11,17)14-6-2-5-12-7-9-16-10-13(12)14/h2,5-7,9-11,17H,3-4,8H2,1H3.
What are the key properties of 1-isoquinolin-8-yl-2-methylcyclopentan-1-ol?
1-isoquinolin-8-yl-2-methylcyclopentan-1-ol has a molecular weight of 227.31 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-2-methylcyclopentan-1-ol is sourced from PubChem (CID 103142880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).