2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol

C14H17NO2 — CID 117334513

IUPAC2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol
SMILESCOc1nccc2ccc(C(C)(C)CO)cc12
InChIInChI=1S/C14H17NO2/c1-14(2,9-16)11-5-4-10-6-7-15-13(17-3)12(10)8-11/h4-8,16H,9H2,1-3H3
InChIKeyMLTLWUSHOLCMKG-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.51
Rot. Bonds3

About 2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol

2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol (PubChem CID 117334513) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol
PubChem CID117334513
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol
SMILESCOc1nccc2ccc(C(C)(C)CO)cc12
InChIInChI=1S/C14H17NO2/c1-14(2,9-16)11-5-4-10-6-7-15-13(17-3)12(10)8-11/h4-8,16H,9H2,1-3H3
InChIKeyMLTLWUSHOLCMKG-UHFFFAOYSA-N
XLogP2.51
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-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

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol (CID 117334513) is 2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol is COc1nccc2ccc(C(C)(C)CO)cc12.
What is the InChIKey of 2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol?
The InChIKey is MLTLWUSHOLCMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2,9-16)11-5-4-10-6-7-15-13(17-3)12(10)8-11/h4-8,16H,9H2,1-3H3.
What are the key properties of 2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol?
2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol has a molecular weight of 231.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 117334513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).