1-isoquinolin-8-yl-2-methylpentan-1-ol

C15H19NO — CID 103139250

IUPAC1-isoquinolin-8-yl-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1cccc2ccncc12
InChIInChI=1S/C15H19NO/c1-3-5-11(2)15(17)13-7-4-6-12-8-9-16-10-14(12)13/h4,6-11,15,17H,3,5H2,1-2H3
InChIKeyDADQATXSDOZJDH-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.70
Rot. Bonds4

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

1-isoquinolin-8-yl-2-methylpentan-1-ol (PubChem CID 103139250) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-isoquinolin-8-yl-2-methylpentan-1-ol
PubChem CID103139250
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-isoquinolin-8-yl-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1cccc2ccncc12
InChIInChI=1S/C15H19NO/c1-3-5-11(2)15(17)13-7-4-6-12-8-9-16-10-14(12)13/h4,6-11,15,17H,3,5H2,1-2H3
InChIKeyDADQATXSDOZJDH-UHFFFAOYSA-N
XLogP3.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-8-ylpentan-1-ol
CID 103138987
ethyl 2,3-dihydroxy-3-isoquinolin-8-ylpropanoate
CID 171866326
1-isoquinolin-8-yl-2-phenylbutan-1-ol
CID 103139135
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
2-methyl-1-quinolin-5-ylpentan-1-ol
CID 81216641
3-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103132486
N-ethyl-1-isoquinolin-8-yl-2-propylpentan-1-amine
CID 103138048
N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide
CID 171883274
ethyl 3,4-dihydroxy-4-isoquinolin-8-ylbutanoate
CID 171897607
S-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl) ethanethioate
CID 171876109
1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine
CID 103135847
2-ethoxy-1-isoquinolin-8-ylpentan-1-amine
CID 103143794

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-2-methylpentan-1-ol?
The IUPAC name of 1-isoquinolin-8-yl-2-methylpentan-1-ol (CID 103139250) is 1-isoquinolin-8-yl-2-methylpentan-1-ol.
What is the SMILES notation for 1-isoquinolin-8-yl-2-methylpentan-1-ol?
The canonical SMILES for 1-isoquinolin-8-yl-2-methylpentan-1-ol is CCCC(C)C(O)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-yl-2-methylpentan-1-ol?
The InChIKey is DADQATXSDOZJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-5-11(2)15(17)13-7-4-6-12-8-9-16-10-14(12)13/h4,6-11,15,17H,3,5H2,1-2H3.
What are the key properties of 1-isoquinolin-8-yl-2-methylpentan-1-ol?
1-isoquinolin-8-yl-2-methylpentan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 3.70, 4 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-methylpentan-1-ol is sourced from PubChem (CID 103139250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).