3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine

C15H14N4O — CID 122443315

IUPAC3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine
SMILESCOc1ccc2ccnc(-c3ccc(N)nc3N)c2c1
InChIInChI=1S/C15H14N4O/c1-20-10-3-2-9-6-7-18-14(12(9)8-10)11-4-5-13(16)19-15(11)17/h2-8H,1H3,(H4,16,17,19)
InChIKeyFOIUKOASCVFDMY-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.47
Rot. Bonds2

About 3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine

3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine (PubChem CID 122443315) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine
PubChem CID122443315
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine
SMILESCOc1ccc2ccnc(-c3ccc(N)nc3N)c2c1
InChIInChI=1S/C15H14N4O/c1-20-10-3-2-9-6-7-18-14(12(9)8-10)11-4-5-13(16)19-15(11)17/h2-8H,1H3,(H4,16,17,19)
InChIKeyFOIUKOASCVFDMY-UHFFFAOYSA-N
XLogP2.47
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-1-phenylisoquinoline
CID 86087026
7-methoxyisoquinoline-1-sulfonamide
CID 106541871
[3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine
CID 116995305
1-ethyl-7-methoxyisoquinoline
CID 119092688
2-(2,4-dimethoxyphenyl)-3-methoxypyridin-4-amine
CID 77093303
5-(6-methoxynaphthalen-2-yl)-6-methylpyridin-2-amine
CID 79048610
2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 116795272
4-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
CID 10563407
N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106542337
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine
CID 116995308
2-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 62204234

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine?
The IUPAC name of 3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine (CID 122443315) is 3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine.
What is the SMILES notation for 3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine?
The canonical SMILES for 3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine is COc1ccc2ccnc(-c3ccc(N)nc3N)c2c1.
What is the InChIKey of 3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine?
The InChIKey is FOIUKOASCVFDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-20-10-3-2-9-6-7-18-14(12(9)8-10)11-4-5-13(16)19-15(11)17/h2-8H,1H3,(H4,16,17,19).
What are the key properties of 3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine?
3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine has a molecular weight of 266.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine is sourced from PubChem (CID 122443315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).