6-(4-aminophenoxy)isoquinolin-4-ol

C15H12N2O2 — CID 174742458

IUPAC6-(4-aminophenoxy)isoquinolin-4-ol
SMILESNc1ccc(Oc2ccc3cncc(O)c3c2)cc1
InChIInChI=1S/C15H12N2O2/c16-11-2-5-12(6-3-11)19-13-4-1-10-8-17-9-15(18)14(10)7-13/h1-9,18H,16H2
InChIKeyHKEWZKMEABYDPW-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.31
Rot. Bonds2

About 6-(4-aminophenoxy)isoquinolin-4-ol

6-(4-aminophenoxy)isoquinolin-4-ol (PubChem CID 174742458) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-(4-aminophenoxy)isoquinolin-4-ol.

Molecular Properties

Compound Name6-(4-aminophenoxy)isoquinolin-4-ol
PubChem CID174742458
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name6-(4-aminophenoxy)isoquinolin-4-ol
SMILESNc1ccc(Oc2ccc3cncc(O)c3c2)cc1
InChIInChI=1S/C15H12N2O2/c16-11-2-5-12(6-3-11)19-13-4-1-10-8-17-9-15(18)14(10)7-13/h1-9,18H,16H2
InChIKeyHKEWZKMEABYDPW-UHFFFAOYSA-N
XLogP3.31
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
4-(4-aminophenoxy)isoquinolin-7-amine
CID 66642834
formic acid;7-phenoxyisoquinolin-4-ol
CID 175369132
4-(4-aminophenoxy)aniline
CID 161415647
5-(4-aminophenoxy)-2-chlorophenol
CID 129011714
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
4-(6,7-dimethoxyisoquinolin-4-yl)oxyaniline
CID 143309051
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
4-(4-aminophenoxy)-2-tert-butylphenol
CID 59364702
2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate
CID 58495795
hydron;isoquinolin-4-ol
CID 174960329
4-(4-aminophenoxy)benzene-1,2-diol;3,4-dihydroxybenzoic acid
CID 69010331

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenoxy)isoquinolin-4-ol?
The IUPAC name of 6-(4-aminophenoxy)isoquinolin-4-ol (CID 174742458) is 6-(4-aminophenoxy)isoquinolin-4-ol.
What is the SMILES notation for 6-(4-aminophenoxy)isoquinolin-4-ol?
The canonical SMILES for 6-(4-aminophenoxy)isoquinolin-4-ol is Nc1ccc(Oc2ccc3cncc(O)c3c2)cc1.
What is the InChIKey of 6-(4-aminophenoxy)isoquinolin-4-ol?
The InChIKey is HKEWZKMEABYDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-11-2-5-12(6-3-11)19-13-4-1-10-8-17-9-15(18)14(10)7-13/h1-9,18H,16H2.
What are the key properties of 6-(4-aminophenoxy)isoquinolin-4-ol?
6-(4-aminophenoxy)isoquinolin-4-ol has a molecular weight of 252.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenoxy)isoquinolin-4-ol is sourced from PubChem (CID 174742458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).