3-isoquinolin-8-ylpentan-3-ol

C14H17NO — CID 103142702

IUPAC3-isoquinolin-8-ylpentan-3-ol
SMILESCCC(O)(CC)c1cccc2ccncc12
InChIInChI=1S/C14H17NO/c1-3-14(16,4-2)13-7-5-6-11-8-9-15-10-12(11)13/h5-10,16H,3-4H2,1-2H3
InChIKeyVSGTVHAOBNBGHC-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.24
Rot. Bonds3

About 3-isoquinolin-8-ylpentan-3-ol

3-isoquinolin-8-ylpentan-3-ol (PubChem CID 103142702) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-isoquinolin-8-ylpentan-3-ol.

Molecular Properties

Compound Name3-isoquinolin-8-ylpentan-3-ol
PubChem CID103142702
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-isoquinolin-8-ylpentan-3-ol
SMILESCCC(O)(CC)c1cccc2ccncc12
InChIInChI=1S/C14H17NO/c1-3-14(16,4-2)13-7-5-6-11-8-9-15-10-12(11)13/h5-10,16H,3-4H2,1-2H3
InChIKeyVSGTVHAOBNBGHC-UHFFFAOYSA-N
XLogP3.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol
CID 103142671
2-isoquinolin-8-yl-1-methoxypropan-2-ol
CID 103142735
2-amino-1-isoquinolin-8-yl-1-phenylethanol
CID 103143061
1-(2-fluorophenyl)-1-isoquinolin-8-ylethanol
CID 103142678
2-isoquinolin-8-yl-1-methoxybutan-2-amine
CID 103143248
isoquinolin-8-ol
CID 135441711
2-isoquinolin-5-yl-3-methylpentan-2-ol
CID 62813485
2-isoquinolin-5-yl-2-methylpropan-1-amine
CID 81020773
3-isoquinolin-5-yl-2-methylpentan-3-amine
CID 55119232
5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol
CID 103391450
4-naphthalen-1-ylheptan-4-ol
CID 114866255
isoquinolin-8-ylmethanamine;dihydrochloride
CID 42614394

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-8-ylpentan-3-ol?
The IUPAC name of 3-isoquinolin-8-ylpentan-3-ol (CID 103142702) is 3-isoquinolin-8-ylpentan-3-ol.
What is the SMILES notation for 3-isoquinolin-8-ylpentan-3-ol?
The canonical SMILES for 3-isoquinolin-8-ylpentan-3-ol is CCC(O)(CC)c1cccc2ccncc12.
What is the InChIKey of 3-isoquinolin-8-ylpentan-3-ol?
The InChIKey is VSGTVHAOBNBGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-14(16,4-2)13-7-5-6-11-8-9-15-10-12(11)13/h5-10,16H,3-4H2,1-2H3.
What are the key properties of 3-isoquinolin-8-ylpentan-3-ol?
3-isoquinolin-8-ylpentan-3-ol has a molecular weight of 215.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-8-ylpentan-3-ol is sourced from PubChem (CID 103142702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).