[2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol

C17H22N2O2 — CID 106538974

IUPAC[2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
SMILESCOc1ccc2ccnc(NCC3CCCC3CO)c2c1
InChIInChI=1S/C17H22N2O2/c1-21-15-6-5-12-7-8-18-17(16(12)9-15)19-10-13-3-2-4-14(13)11-20/h5-9,13-14,20H,2-4,10-11H2,1H3,(H,18,19)
InChIKeyJRDFKVKVHJYBQU-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.06
Rot. Bonds5

About [2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol

[2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 106538974) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
PubChem CID106538974
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
SMILESCOc1ccc2ccnc(NCC3CCCC3CO)c2c1
InChIInChI=1S/C17H22N2O2/c1-21-15-6-5-12-7-8-18-17(16(12)9-15)19-10-13-3-2-4-14(13)11-20/h5-9,13-14,20H,2-4,10-11H2,1H3,(H,18,19)
InChIKeyJRDFKVKVHJYBQU-UHFFFAOYSA-N
XLogP3.06
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol 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-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol (CID 106538974) is [2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol is COc1ccc2ccnc(NCC3CCCC3CO)c2c1.
What is the InChIKey of [2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is JRDFKVKVHJYBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-21-15-6-5-12-7-8-18-17(16(12)9-15)19-10-13-3-2-4-14(13)11-20/h5-9,13-14,20H,2-4,10-11H2,1H3,(H,18,19).
What are the key properties of [2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol?
[2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 286.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 106538974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).