3-methylisoquinolin-8-amine

C10H10N2 — CID 20515638

IUPAC3-methylisoquinolin-8-amine
SMILESCc1cc2cccc(N)c2cn1
InChIInChI=1S/C10H10N2/c1-7-5-8-3-2-4-10(11)9(8)6-12-7/h2-6H,11H2,1H3
InChIKeyRXCINQIXGSTFHC-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.13
Rot. Bonds

About 3-methylisoquinolin-8-amine

3-methylisoquinolin-8-amine (PubChem CID 20515638) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-methylisoquinolin-8-amine.

Molecular Properties

Compound Name3-methylisoquinolin-8-amine
PubChem CID20515638
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name3-methylisoquinolin-8-amine
SMILESCc1cc2cccc(N)c2cn1
InChIInChI=1S/C10H10N2/c1-7-5-8-3-2-4-10(11)9(8)6-12-7/h2-6H,11H2,1H3
InChIKeyRXCINQIXGSTFHC-UHFFFAOYSA-N
XLogP2.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-methylisoquinolin-8-amine 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 3-methylisoquinolin-8-amine?
The IUPAC name of 3-methylisoquinolin-8-amine (CID 20515638) is 3-methylisoquinolin-8-amine.
What is the SMILES notation for 3-methylisoquinolin-8-amine?
The canonical SMILES for 3-methylisoquinolin-8-amine is Cc1cc2cccc(N)c2cn1.
What is the InChIKey of 3-methylisoquinolin-8-amine?
The InChIKey is RXCINQIXGSTFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-7-5-8-3-2-4-10(11)9(8)6-12-7/h2-6H,11H2,1H3.
What are the key properties of 3-methylisoquinolin-8-amine?
3-methylisoquinolin-8-amine has a molecular weight of 158.20 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylisoquinolin-8-amine is sourced from PubChem (CID 20515638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).