2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline

C17H16N2O2 — CID 106540123

IUPAC2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline
SMILESCOc1ccc2c(Oc3ccc(C)cc3N)nccc2c1
InChIInChI=1S/C17H16N2O2/c1-11-3-6-16(15(18)9-11)21-17-14-5-4-13(20-2)10-12(14)7-8-19-17/h3-10H,18H2,1-2H3
InChIKeyOHQVVHPUWGWUSZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.93
Rot. Bonds3

About 2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline

2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline (PubChem CID 106540123) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline.

Molecular Properties

Compound Name2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline
PubChem CID106540123
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline
SMILESCOc1ccc2c(Oc3ccc(C)cc3N)nccc2c1
InChIInChI=1S/C17H16N2O2/c1-11-3-6-16(15(18)9-11)21-17-14-5-4-13(20-2)10-12(14)7-8-19-17/h3-10H,18H2,1-2H3
InChIKeyOHQVVHPUWGWUSZ-UHFFFAOYSA-N
XLogP3.93
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540081
4-bromo-3-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540208
4-chloro-3-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540158
1-(4-iodophenoxy)-6-methoxyisoquinoline
CID 106536960
2-[(5-methoxy-2-pyridinyl)oxy]-5-methylaniline
CID 106504321
[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541265
(6-methoxyisoquinolin-1-yl) hydrogen carbonate
CID 70843477
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline
CID 23078587
[3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541270
5-methyl-2-naphthalen-2-yloxyaniline
CID 26189514
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline
CID 105367213
4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid
CID 106541785

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline?
The IUPAC name of 2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline (CID 106540123) is 2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline.
What is the SMILES notation for 2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline?
The canonical SMILES for 2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline is COc1ccc2c(Oc3ccc(C)cc3N)nccc2c1.
What is the InChIKey of 2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline?
The InChIKey is OHQVVHPUWGWUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-3-6-16(15(18)9-11)21-17-14-5-4-13(20-2)10-12(14)7-8-19-17/h3-10H,18H2,1-2H3.
What are the key properties of 2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline?
2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline has a molecular weight of 280.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline is sourced from PubChem (CID 106540123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).