8-amino-7-methoxyisoquinoline-1-carbonitrile

C11H9N3O — CID 86130451

IUPAC8-amino-7-methoxyisoquinoline-1-carbonitrile
SMILESCOc1ccc2ccnc(C#N)c2c1N
InChIInChI=1S/C11H9N3O/c1-15-9-3-2-7-4-5-14-8(6-12)10(7)11(9)13/h2-5H,13H2,1H3
InChIKeyFNTKGLNIDBIRER-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.70
Rot. Bonds1

About 8-amino-7-methoxyisoquinoline-1-carbonitrile

8-amino-7-methoxyisoquinoline-1-carbonitrile (PubChem CID 86130451) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 8-amino-7-methoxyisoquinoline-1-carbonitrile.

Molecular Properties

Compound Name8-amino-7-methoxyisoquinoline-1-carbonitrile
PubChem CID86130451
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name8-amino-7-methoxyisoquinoline-1-carbonitrile
SMILESCOc1ccc2ccnc(C#N)c2c1N
InChIInChI=1S/C11H9N3O/c1-15-9-3-2-7-4-5-14-8(6-12)10(7)11(9)13/h2-5H,13H2,1H3
InChIKeyFNTKGLNIDBIRER-UHFFFAOYSA-N
XLogP1.70
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.70
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

2,7-dimethoxynaphthalene-1,8-diamine
CID 12868710
6-amino-3-methoxypyridine-2-carbonitrile
CID 118607484
methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate
CID 130777634
5,6,7-trimethoxyisoquinoline-1-carbonitrile
CID 13311471
8-bromoisoquinoline-1-carbonitrile
CID 82571529
6-bromo-3-methoxypyridine-2-carbonitrile
CID 22560740
2-amino-6-bromo-3-methoxybenzonitrile
CID 82013372
2-amino-3-methoxypyridine-4-carbonitrile
CID 119008988
7-(dimethylamino)isoquinoline-1-carbonitrile
CID 82571507
methyl 4-amino-2-cyanopyridine-3-carboxylate
CID 130935671
5-bromo-7-methoxyisoquinoline-1-carbonitrile
CID 125427205
6-methoxy-4-methylquinoline-5-carbonitrile
CID 82573234

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-methoxyisoquinoline-1-carbonitrile?
The IUPAC name of 8-amino-7-methoxyisoquinoline-1-carbonitrile (CID 86130451) is 8-amino-7-methoxyisoquinoline-1-carbonitrile.
What is the SMILES notation for 8-amino-7-methoxyisoquinoline-1-carbonitrile?
The canonical SMILES for 8-amino-7-methoxyisoquinoline-1-carbonitrile is COc1ccc2ccnc(C#N)c2c1N.
What is the InChIKey of 8-amino-7-methoxyisoquinoline-1-carbonitrile?
The InChIKey is FNTKGLNIDBIRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-15-9-3-2-7-4-5-14-8(6-12)10(7)11(9)13/h2-5H,13H2,1H3.
What are the key properties of 8-amino-7-methoxyisoquinoline-1-carbonitrile?
8-amino-7-methoxyisoquinoline-1-carbonitrile has a molecular weight of 199.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-methoxyisoquinoline-1-carbonitrile is sourced from PubChem (CID 86130451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).