1-isoquinolin-4-ylpentan-1-ol

C14H17NO — CID 63938213

IUPAC1-isoquinolin-4-ylpentan-1-ol
SMILESCCCCC(O)c1cncc2ccccc12
InChIInChI=1S/C14H17NO/c1-2-3-8-14(16)13-10-15-9-11-6-4-5-7-12(11)13/h4-7,9-10,14,16H,2-3,8H2,1H3
InChIKeyDOETUNZPHVCBMO-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.46
Rot. Bonds4

About 1-isoquinolin-4-ylpentan-1-ol

1-isoquinolin-4-ylpentan-1-ol (PubChem CID 63938213) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-isoquinolin-4-ylpentan-1-ol.

Molecular Properties

Compound Name1-isoquinolin-4-ylpentan-1-ol
PubChem CID63938213
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-isoquinolin-4-ylpentan-1-ol
SMILESCCCCC(O)c1cncc2ccccc12
InChIInChI=1S/C14H17NO/c1-2-3-8-14(16)13-10-15-9-11-6-4-5-7-12(11)13/h4-7,9-10,14,16H,2-3,8H2,1H3
InChIKeyDOETUNZPHVCBMO-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

Analyze 1-isoquinolin-4-ylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-isoquinolin-4-yl-2-propoxyethanol
CID 63938415
1-isoquinolin-4-yl-2-methoxyethanol
CID 63940937
1-isoquinolin-4-ylnonan-1-amine
CID 115856304
ethyl 3-hydroxy-3-isoquinolin-4-ylpropanoate
CID 104505059
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol
CID 104504624
1-isoquinolin-8-ylpentan-1-ol
CID 103138987
2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol
CID 63939969
1-isoquinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147546
2-(2-chloro-4-methylphenyl)-1-isoquinolin-4-ylethanol
CID 106866612
2-isoquinolin-4-ylpropan-1-amine
CID 81020930
2-cycloheptyl-1-isoquinolin-4-ylethanol
CID 115798049

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-ylpentan-1-ol?
The IUPAC name of 1-isoquinolin-4-ylpentan-1-ol (CID 63938213) is 1-isoquinolin-4-ylpentan-1-ol.
What is the SMILES notation for 1-isoquinolin-4-ylpentan-1-ol?
The canonical SMILES for 1-isoquinolin-4-ylpentan-1-ol is CCCCC(O)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-ylpentan-1-ol?
The InChIKey is DOETUNZPHVCBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-8-14(16)13-10-15-9-11-6-4-5-7-12(11)13/h4-7,9-10,14,16H,2-3,8H2,1H3.
What are the key properties of 1-isoquinolin-4-ylpentan-1-ol?
1-isoquinolin-4-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-4-ylpentan-1-ol is sourced from PubChem (CID 63938213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).