6-chloro-7-methylisoquinolin-1-amine

C10H9ClN2 — CID 21300587

IUPAC6-chloro-7-methylisoquinolin-1-amine
SMILESCc1cc2c(N)nccc2cc1Cl
InChIInChI=1S/C10H9ClN2/c1-6-4-8-7(5-9(6)11)2-3-13-10(8)12/h2-5H,1H3,(H2,12,13)
InChIKeyMWPQKWNPACTRHS-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.78
Rot. Bonds

About 6-chloro-7-methylisoquinolin-1-amine

6-chloro-7-methylisoquinolin-1-amine (PubChem CID 21300587) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 6-chloro-7-methylisoquinolin-1-amine.

Molecular Properties

Compound Name6-chloro-7-methylisoquinolin-1-amine
PubChem CID21300587
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name6-chloro-7-methylisoquinolin-1-amine
SMILESCc1cc2c(N)nccc2cc1Cl
InChIInChI=1S/C10H9ClN2/c1-6-4-8-7(5-9(6)11)2-3-13-10(8)12/h2-5H,1H3,(H2,12,13)
InChIKeyMWPQKWNPACTRHS-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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methylisoquinolin-1-amine?
The IUPAC name of 6-chloro-7-methylisoquinolin-1-amine (CID 21300587) is 6-chloro-7-methylisoquinolin-1-amine.
What is the SMILES notation for 6-chloro-7-methylisoquinolin-1-amine?
The canonical SMILES for 6-chloro-7-methylisoquinolin-1-amine is Cc1cc2c(N)nccc2cc1Cl.
What is the InChIKey of 6-chloro-7-methylisoquinolin-1-amine?
The InChIKey is MWPQKWNPACTRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c1-6-4-8-7(5-9(6)11)2-3-13-10(8)12/h2-5H,1H3,(H2,12,13).
What are the key properties of 6-chloro-7-methylisoquinolin-1-amine?
6-chloro-7-methylisoquinolin-1-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 6-chloro-7-methylisoquinolin-1-amine is sourced from PubChem (CID 21300587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).