1-isoquinolin-8-ylpentan-1-ol

C14H17NO — CID 103138987

IUPAC1-isoquinolin-8-ylpentan-1-ol
SMILESCCCCC(O)c1cccc2ccncc12
InChIInChI=1S/C14H17NO/c1-2-3-7-14(16)12-6-4-5-11-8-9-15-10-13(11)12/h4-6,8-10,14,16H,2-3,7H2,1H3
InChIKeyRWZLXIFQLMHMCG-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.46
Rot. Bonds4

About 1-isoquinolin-8-ylpentan-1-ol

1-isoquinolin-8-ylpentan-1-ol (PubChem CID 103138987) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-isoquinolin-8-ylpentan-1-ol.

Molecular Properties

Compound Name1-isoquinolin-8-ylpentan-1-ol
PubChem CID103138987
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-isoquinolin-8-ylpentan-1-ol
SMILESCCCCC(O)c1cccc2ccncc12
InChIInChI=1S/C14H17NO/c1-2-3-7-14(16)12-6-4-5-11-8-9-15-10-13(11)12/h4-6,8-10,14,16H,2-3,7H2,1H3
InChIKeyRWZLXIFQLMHMCG-UHFFFAOYSA-N
XLogP3.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-8-yl-2-methylpentan-1-ol
CID 103139250
N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine
CID 103136570
1-isoquinolin-8-yl-N-methylheptan-1-amine
CID 103137970
1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
CID 103139145
4-ethoxy-1-isoquinolin-5-ylbutan-1-ol
CID 105094595
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
ethyl 2,3-dihydroxy-3-isoquinolin-8-ylpropanoate
CID 171866326
N-ethyl-1-isoquinolin-8-yl-2-propylpentan-1-amine
CID 103138048
1-isoquinolin-4-ylpentan-1-ol
CID 63938213
1-isoquinolin-8-yl-2-phenylsulfanylethanol
CID 103139302
1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 103143412
3-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103132486

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-ylpentan-1-ol?
The IUPAC name of 1-isoquinolin-8-ylpentan-1-ol (CID 103138987) is 1-isoquinolin-8-ylpentan-1-ol.
What is the SMILES notation for 1-isoquinolin-8-ylpentan-1-ol?
The canonical SMILES for 1-isoquinolin-8-ylpentan-1-ol is CCCCC(O)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-ylpentan-1-ol?
The InChIKey is RWZLXIFQLMHMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-7-14(16)12-6-4-5-11-8-9-15-10-13(11)12/h4-6,8-10,14,16H,2-3,7H2,1H3.
What are the key properties of 1-isoquinolin-8-ylpentan-1-ol?
1-isoquinolin-8-ylpentan-1-ol has a molecular weight of 215.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-ylpentan-1-ol is sourced from PubChem (CID 103138987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).