8-chloroisoquinolin-4-amine

C9H7ClN2 — CID 84718076

IUPAC8-chloroisoquinolin-4-amine
SMILESNc1cncc2c(Cl)cccc12
InChIInChI=1S/C9H7ClN2/c10-8-3-1-2-6-7(8)4-12-5-9(6)11/h1-5H,11H2
InChIKeyXOYPXBDIHGQDKV-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.47
Rot. Bonds

About 8-chloroisoquinolin-4-amine

8-chloroisoquinolin-4-amine (PubChem CID 84718076) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 8-chloroisoquinolin-4-amine.

Molecular Properties

Compound Name8-chloroisoquinolin-4-amine
PubChem CID84718076
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Name8-chloroisoquinolin-4-amine
SMILESNc1cncc2c(Cl)cccc12
InChIInChI=1S/C9H7ClN2/c10-8-3-1-2-6-7(8)4-12-5-9(6)11/h1-5H,11H2
InChIKeyXOYPXBDIHGQDKV-UHFFFAOYSA-N
XLogP2.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloroisoquinolin-4-amine?
The IUPAC name of 8-chloroisoquinolin-4-amine (CID 84718076) is 8-chloroisoquinolin-4-amine.
What is the SMILES notation for 8-chloroisoquinolin-4-amine?
The canonical SMILES for 8-chloroisoquinolin-4-amine is Nc1cncc2c(Cl)cccc12.
What is the InChIKey of 8-chloroisoquinolin-4-amine?
The InChIKey is XOYPXBDIHGQDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2/c10-8-3-1-2-6-7(8)4-12-5-9(6)11/h1-5H,11H2.
What are the key properties of 8-chloroisoquinolin-4-amine?
8-chloroisoquinolin-4-amine has a molecular weight of 178.62 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloroisoquinolin-4-amine is sourced from PubChem (CID 84718076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).