1-aminoisoquinolin-7-ol

C9H8N2O — CID 22631313

IUPAC1-aminoisoquinolin-7-ol
SMILESNc1nccc2ccc(O)cc12
InChIInChI=1S/C9H8N2O/c10-9-8-5-7(12)2-1-6(8)3-4-11-9/h1-5,12H,(H2,10,11)
InChIKeyRXUCSGSFYHUFFS-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.52
Rot. Bonds

About 1-aminoisoquinolin-7-ol

1-aminoisoquinolin-7-ol (PubChem CID 22631313) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-aminoisoquinolin-7-ol.

Molecular Properties

Compound Name1-aminoisoquinolin-7-ol
PubChem CID22631313
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name1-aminoisoquinolin-7-ol
SMILESNc1nccc2ccc(O)cc12
InChIInChI=1S/C9H8N2O/c10-9-8-5-7(12)2-1-6(8)3-4-11-9/h1-5,12H,(H2,10,11)
InChIKeyRXUCSGSFYHUFFS-UHFFFAOYSA-N
XLogP1.52
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-aminoisoquinolin-7-ol?
The IUPAC name of 1-aminoisoquinolin-7-ol (CID 22631313) is 1-aminoisoquinolin-7-ol.
What is the SMILES notation for 1-aminoisoquinolin-7-ol?
The canonical SMILES for 1-aminoisoquinolin-7-ol is Nc1nccc2ccc(O)cc12.
What is the InChIKey of 1-aminoisoquinolin-7-ol?
The InChIKey is RXUCSGSFYHUFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-9-8-5-7(12)2-1-6(8)3-4-11-9/h1-5,12H,(H2,10,11).
What are the key properties of 1-aminoisoquinolin-7-ol?
1-aminoisoquinolin-7-ol has a molecular weight of 160.18 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoisoquinolin-7-ol is sourced from PubChem (CID 22631313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).