3-chloro-N-methylisoquinolin-6-amine

C10H9ClN2 — CID 121228890

IUPAC3-chloro-N-methylisoquinolin-6-amine
SMILESCNc1ccc2cnc(Cl)cc2c1
InChIInChI=1S/C10H9ClN2/c1-12-9-3-2-7-6-13-10(11)5-8(7)4-9/h2-6,12H,1H3
InChIKeyFLDCMVPRHDLNFJ-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.93
Rot. Bonds1

About 3-chloro-N-methylisoquinolin-6-amine

3-chloro-N-methylisoquinolin-6-amine (PubChem CID 121228890) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 3-chloro-N-methylisoquinolin-6-amine.

Molecular Properties

Compound Name3-chloro-N-methylisoquinolin-6-amine
PubChem CID121228890
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name3-chloro-N-methylisoquinolin-6-amine
SMILESCNc1ccc2cnc(Cl)cc2c1
InChIInChI=1S/C10H9ClN2/c1-12-9-3-2-7-6-13-10(11)5-8(7)4-9/h2-6,12H,1H3
InChIKeyFLDCMVPRHDLNFJ-UHFFFAOYSA-N
XLogP2.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methylisoquinolin-6-amine?
The IUPAC name of 3-chloro-N-methylisoquinolin-6-amine (CID 121228890) is 3-chloro-N-methylisoquinolin-6-amine.
What is the SMILES notation for 3-chloro-N-methylisoquinolin-6-amine?
The canonical SMILES for 3-chloro-N-methylisoquinolin-6-amine is CNc1ccc2cnc(Cl)cc2c1.
What is the InChIKey of 3-chloro-N-methylisoquinolin-6-amine?
The InChIKey is FLDCMVPRHDLNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c1-12-9-3-2-7-6-13-10(11)5-8(7)4-9/h2-6,12H,1H3.
What are the key properties of 3-chloro-N-methylisoquinolin-6-amine?
3-chloro-N-methylisoquinolin-6-amine has a molecular weight of 192.65 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methylisoquinolin-6-amine is sourced from PubChem (CID 121228890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).