7-pentan-3-yloxyisoquinolin-4-ol

C14H17NO2 — CID 150996288

IUPAC7-pentan-3-yloxyisoquinolin-4-ol
SMILESCCC(CC)Oc1ccc2c(O)cncc2c1
InChIInChI=1S/C14H17NO2/c1-3-11(4-2)17-12-5-6-13-10(7-12)8-15-9-14(13)16/h5-9,11,16H,3-4H2,1-2H3
InChIKeyLTDXNYLWTGWWMX-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.51
Rot. Bonds4

About 7-pentan-3-yloxyisoquinolin-4-ol

7-pentan-3-yloxyisoquinolin-4-ol (PubChem CID 150996288) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 7-pentan-3-yloxyisoquinolin-4-ol.

Molecular Properties

Compound Name7-pentan-3-yloxyisoquinolin-4-ol
PubChem CID150996288
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name7-pentan-3-yloxyisoquinolin-4-ol
SMILESCCC(CC)Oc1ccc2c(O)cncc2c1
InChIInChI=1S/C14H17NO2/c1-3-11(4-2)17-12-5-6-13-10(7-12)8-15-9-14(13)16/h5-9,11,16H,3-4H2,1-2H3
InChIKeyLTDXNYLWTGWWMX-UHFFFAOYSA-N
XLogP3.51
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-pentan-3-yloxyisoquinolin-4-ol?
The IUPAC name of 7-pentan-3-yloxyisoquinolin-4-ol (CID 150996288) is 7-pentan-3-yloxyisoquinolin-4-ol.
What is the SMILES notation for 7-pentan-3-yloxyisoquinolin-4-ol?
The canonical SMILES for 7-pentan-3-yloxyisoquinolin-4-ol is CCC(CC)Oc1ccc2c(O)cncc2c1.
What is the InChIKey of 7-pentan-3-yloxyisoquinolin-4-ol?
The InChIKey is LTDXNYLWTGWWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-11(4-2)17-12-5-6-13-10(7-12)8-15-9-14(13)16/h5-9,11,16H,3-4H2,1-2H3.
What are the key properties of 7-pentan-3-yloxyisoquinolin-4-ol?
7-pentan-3-yloxyisoquinolin-4-ol has a molecular weight of 231.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentan-3-yloxyisoquinolin-4-ol is sourced from PubChem (CID 150996288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).