2-methyl-1H-isoquinoline;hydrochloride

C10H12ClN — CID 173000656

IUPAC2-methyl-1H-isoquinoline;hydrochloride
SMILESCN1C=Cc2ccccc2C1.Cl
InChIInChI=1S/C10H11N.ClH/c1-11-7-6-9-4-2-3-5-10(9)8-11;/h2-7H,8H2,1H3;1H
InChIKeyASDFIOIGLRWFGJ-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.52
Rot. Bonds

About 2-methyl-1H-isoquinoline;hydrochloride

2-methyl-1H-isoquinoline;hydrochloride (PubChem CID 173000656) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 2-methyl-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name2-methyl-1H-isoquinoline;hydrochloride
PubChem CID173000656
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name2-methyl-1H-isoquinoline;hydrochloride
SMILESCN1C=Cc2ccccc2C1.Cl
InChIInChI=1S/C10H11N.ClH/c1-11-7-6-9-4-2-3-5-10(9)8-11;/h2-7H,8H2,1H3;1H
InChIKeyASDFIOIGLRWFGJ-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1H-isoquinoline;hydrochloride 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-methyl-1H-isoquinoline;hydrochloride?
The IUPAC name of 2-methyl-1H-isoquinoline;hydrochloride (CID 173000656) is 2-methyl-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 2-methyl-1H-isoquinoline;hydrochloride?
The canonical SMILES for 2-methyl-1H-isoquinoline;hydrochloride is CN1C=Cc2ccccc2C1.Cl.
What is the InChIKey of 2-methyl-1H-isoquinoline;hydrochloride?
The InChIKey is ASDFIOIGLRWFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.ClH/c1-11-7-6-9-4-2-3-5-10(9)8-11;/h2-7H,8H2,1H3;1H.
What are the key properties of 2-methyl-1H-isoquinoline;hydrochloride?
2-methyl-1H-isoquinoline;hydrochloride has a molecular weight of 181.67 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 173000656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).