1-chloro-4-methylisoquinolin-3-amine

C10H9ClN2 — CID 606022

IUPAC1-chloro-4-methylisoquinolin-3-amine
SMILESCc1c(N)nc(Cl)c2ccccc12
InChIInChI=1S/C10H9ClN2/c1-6-7-4-2-3-5-8(7)9(11)13-10(6)12/h2-5H,1H3,(H2,12,13)
InChIKeyTXEIXMADNGAPPS-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.78
Rot. Bonds

About 1-chloro-4-methylisoquinolin-3-amine

1-chloro-4-methylisoquinolin-3-amine (PubChem CID 606022) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 1-chloro-4-methylisoquinolin-3-amine.

Molecular Properties

Compound Name1-chloro-4-methylisoquinolin-3-amine
PubChem CID606022
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name1-chloro-4-methylisoquinolin-3-amine
SMILESCc1c(N)nc(Cl)c2ccccc12
InChIInChI=1S/C10H9ClN2/c1-6-7-4-2-3-5-8(7)9(11)13-10(6)12/h2-5H,1H3,(H2,12,13)
InChIKeyTXEIXMADNGAPPS-UHFFFAOYSA-N
XLogP2.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-chloro-4-methylisoquinolin-3-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 1-chloro-4-methylisoquinolin-3-amine?
The IUPAC name of 1-chloro-4-methylisoquinolin-3-amine (CID 606022) is 1-chloro-4-methylisoquinolin-3-amine.
What is the SMILES notation for 1-chloro-4-methylisoquinolin-3-amine?
The canonical SMILES for 1-chloro-4-methylisoquinolin-3-amine is Cc1c(N)nc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-methylisoquinolin-3-amine?
The InChIKey is TXEIXMADNGAPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c1-6-7-4-2-3-5-8(7)9(11)13-10(6)12/h2-5H,1H3,(H2,12,13).
What are the key properties of 1-chloro-4-methylisoquinolin-3-amine?
1-chloro-4-methylisoquinolin-3-amine has a molecular weight of 192.65 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylisoquinolin-3-amine is sourced from PubChem (CID 606022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).