3-(1-aminoisoquinolin-7-yl)phenol

C15H12N2O — CID 44530518

IUPAC3-(1-aminoisoquinolin-7-yl)phenol
SMILESNc1nccc2ccc(-c3cccc(O)c3)cc12
InChIInChI=1S/C15H12N2O/c16-15-14-9-12(5-4-10(14)6-7-17-15)11-2-1-3-13(18)8-11/h1-9,18H,(H2,16,17)
InChIKeyIBRSGGHXUCPIFB-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.19
Rot. Bonds1

About 3-(1-aminoisoquinolin-7-yl)phenol

3-(1-aminoisoquinolin-7-yl)phenol (PubChem CID 44530518) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(1-aminoisoquinolin-7-yl)phenol.

Molecular Properties

Compound Name3-(1-aminoisoquinolin-7-yl)phenol
PubChem CID44530518
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-(1-aminoisoquinolin-7-yl)phenol
SMILESNc1nccc2ccc(-c3cccc(O)c3)cc12
InChIInChI=1S/C15H12N2O/c16-15-14-9-12(5-4-10(14)6-7-17-15)11-2-1-3-13(18)8-11/h1-9,18H,(H2,16,17)
InChIKeyIBRSGGHXUCPIFB-UHFFFAOYSA-N
XLogP3.19
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoisoquinolin-7-yl)phenol?
The IUPAC name of 3-(1-aminoisoquinolin-7-yl)phenol (CID 44530518) is 3-(1-aminoisoquinolin-7-yl)phenol.
What is the SMILES notation for 3-(1-aminoisoquinolin-7-yl)phenol?
The canonical SMILES for 3-(1-aminoisoquinolin-7-yl)phenol is Nc1nccc2ccc(-c3cccc(O)c3)cc12.
What is the InChIKey of 3-(1-aminoisoquinolin-7-yl)phenol?
The InChIKey is IBRSGGHXUCPIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-15-14-9-12(5-4-10(14)6-7-17-15)11-2-1-3-13(18)8-11/h1-9,18H,(H2,16,17).
What are the key properties of 3-(1-aminoisoquinolin-7-yl)phenol?
3-(1-aminoisoquinolin-7-yl)phenol has a molecular weight of 236.27 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoisoquinolin-7-yl)phenol is sourced from PubChem (CID 44530518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).