1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol

C16H14N2O3 — CID 106540139

IUPAC1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol
SMILESCOc1cc(N)ccc1Oc1nccc2ccc(O)cc12
InChIInChI=1S/C16H14N2O3/c1-20-15-8-11(17)3-5-14(15)21-16-13-9-12(19)4-2-10(13)6-7-18-16/h2-9,19H,17H2,1H3
InChIKeyICVIOQHMVJZEGH-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.32
Rot. Bonds3

About 1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol

1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol (PubChem CID 106540139) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol.

Molecular Properties

Compound Name1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol
PubChem CID106540139
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol
SMILESCOc1cc(N)ccc1Oc1nccc2ccc(O)cc12
InChIInChI=1S/C16H14N2O3/c1-20-15-8-11(17)3-5-14(15)21-16-13-9-12(19)4-2-10(13)6-7-18-16/h2-9,19H,17H2,1H3
InChIKeyICVIOQHMVJZEGH-UHFFFAOYSA-N
XLogP3.32
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-2-fluorophenoxy)isoquinolin-7-ol
CID 106540101
1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol
CID 106540079
3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline
CID 62254600
2-(4-amino-2-methoxyphenoxy)pyridine-3-carboxamide
CID 62111132
3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline
CID 62132202
4-bromo-3-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540208
4-chloro-3-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540158
3-(4-amino-2-methoxyphenoxy)propan-1-ol
CID 21422985
3-(4-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one
CID 62929350
7-amino-5-methoxynaphthalen-2-ol
CID 105443487
1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol
CID 106541994
7-amino-8-methoxynaphthalen-2-ol
CID 115017708

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol?
The IUPAC name of 1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol (CID 106540139) is 1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol.
What is the SMILES notation for 1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol?
The canonical SMILES for 1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol is COc1cc(N)ccc1Oc1nccc2ccc(O)cc12.
What is the InChIKey of 1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol?
The InChIKey is ICVIOQHMVJZEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-15-8-11(17)3-5-14(15)21-16-13-9-12(19)4-2-10(13)6-7-18-16/h2-9,19H,17H2,1H3.
What are the key properties of 1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol?
1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol has a molecular weight of 282.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol is sourced from PubChem (CID 106540139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).