6-methylisoquinoline

C10H9N — CID 640959

IUPAC6-methylisoquinoline
SMILESCc1ccc2cnccc2c1
InChIInChI=1S/C10H9N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h2-7H,1H3
InChIKeyPPEJLOXOMBAXES-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.54
Rot. Bonds

About 6-methylisoquinoline

6-methylisoquinoline (PubChem CID 640959) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 6-methylisoquinoline.

Molecular Properties

Compound Name6-methylisoquinoline
PubChem CID640959
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name6-methylisoquinoline
SMILESCc1ccc2cnccc2c1
InChIInChI=1S/C10H9N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h2-7H,1H3
InChIKeyPPEJLOXOMBAXES-UHFFFAOYSA-N
XLogP2.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-methylisoquinoline 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

Quinoline
CID 7047
6-Methylquinoline
CID 7059
Isoquinoline
CID 8405
4-Phenylpyridine
CID 13651
4-Methylquinoline
CID 10285
Benzo(F)Quinoline
CID 6796
3-Butylpyridine
CID 10874
3-Pentylpyridine
CID 238307
2-(3-Phenylpropyl)Pyridine
CID 459494
Lauryl Isoquinolinium Bromide
CID 7132
8-Methylquinoline
CID 11910
3-Phenylpyridine
CID 13886

Frequently Asked Questions

What is the IUPAC name of 6-methylisoquinoline?
The IUPAC name of 6-methylisoquinoline (CID 640959) is 6-methylisoquinoline.
What is the SMILES notation for 6-methylisoquinoline?
The canonical SMILES for 6-methylisoquinoline is Cc1ccc2cnccc2c1.
What is the InChIKey of 6-methylisoquinoline?
The InChIKey is PPEJLOXOMBAXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h2-7H,1H3.
What are the key properties of 6-methylisoquinoline?
6-methylisoquinoline has a molecular weight of 143.19 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylisoquinoline is sourced from PubChem (CID 640959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).