6-propylisoquinolin-5-ol

C12H13NO — CID 45117044

IUPAC6-propylisoquinolin-5-ol
SMILESCCCc1ccc2cnccc2c1O
InChIInChI=1S/C12H13NO/c1-2-3-9-4-5-10-8-13-7-6-11(10)12(9)14/h4-8,14H,2-3H2,1H3
InChIKeyUDERHUMTYVYELM-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.89
Rot. Bonds2

About 6-propylisoquinolin-5-ol

6-propylisoquinolin-5-ol (PubChem CID 45117044) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 6-propylisoquinolin-5-ol.

Molecular Properties

Compound Name6-propylisoquinolin-5-ol
PubChem CID45117044
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name6-propylisoquinolin-5-ol
SMILESCCCc1ccc2cnccc2c1O
InChIInChI=1S/C12H13NO/c1-2-3-9-4-5-10-8-13-7-6-11(10)12(9)14/h4-8,14H,2-3H2,1H3
InChIKeyUDERHUMTYVYELM-UHFFFAOYSA-N
XLogP2.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-propylisoquinolin-5-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

6-chloroisoquinolin-5-ol
CID 115015519
(3-propyl-1,8-phenanthrolin-2-yl)hydrazine
CID 63232788
6-ethyl-5-fluoroisoquinoline
CID 67950448
3,8-phenanthroline
CID 13064691
7-propylquinolin-8-ol
CID 11604513
5-butylisoquinolin-8-ol
CID 137082898
2-undecylnaphthalen-1-ol
CID 139729579
6-methyl-4-propylisoquinoline
CID 146477911
2-amino-3,6-dipropylphenol
CID 134347282
ethane;4-methoxy-3-propylpyridine
CID 176962232
4-propylpyridine-3-carboxylic acid
CID 21413297
methyl 2-(6-hydroxyisoquinolin-5-yl)acetate
CID 137004397

Frequently Asked Questions

What is the IUPAC name of 6-propylisoquinolin-5-ol?
The IUPAC name of 6-propylisoquinolin-5-ol (CID 45117044) is 6-propylisoquinolin-5-ol.
What is the SMILES notation for 6-propylisoquinolin-5-ol?
The canonical SMILES for 6-propylisoquinolin-5-ol is CCCc1ccc2cnccc2c1O.
What is the InChIKey of 6-propylisoquinolin-5-ol?
The InChIKey is UDERHUMTYVYELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-3-9-4-5-10-8-13-7-6-11(10)12(9)14/h4-8,14H,2-3H2,1H3.
What are the key properties of 6-propylisoquinolin-5-ol?
6-propylisoquinolin-5-ol has a molecular weight of 187.24 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylisoquinolin-5-ol is sourced from PubChem (CID 45117044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).