4-hydroxy-6-methoxyisoquinoline-7-carbonitrile

C11H8N2O2 — CID 118414156

IUPAC4-hydroxy-6-methoxyisoquinoline-7-carbonitrile
SMILESCOc1cc2c(O)cncc2cc1C#N
InChIInChI=1S/C11H8N2O2/c1-15-11-3-9-8(2-7(11)4-12)5-13-6-10(9)14/h2-3,5-6,14H,1H3
InChIKeyHRHOEKKISIDGHA-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.82
Rot. Bonds1

About 4-hydroxy-6-methoxyisoquinoline-7-carbonitrile

4-hydroxy-6-methoxyisoquinoline-7-carbonitrile (PubChem CID 118414156) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 4-hydroxy-6-methoxyisoquinoline-7-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-6-methoxyisoquinoline-7-carbonitrile
PubChem CID118414156
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name4-hydroxy-6-methoxyisoquinoline-7-carbonitrile
SMILESCOc1cc2c(O)cncc2cc1C#N
InChIInChI=1S/C11H8N2O2/c1-15-11-3-9-8(2-7(11)4-12)5-13-6-10(9)14/h2-3,5-6,14H,1H3
InChIKeyHRHOEKKISIDGHA-UHFFFAOYSA-N
XLogP1.82
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methoxyisoquinoline-7-carbonitrile?
The IUPAC name of 4-hydroxy-6-methoxyisoquinoline-7-carbonitrile (CID 118414156) is 4-hydroxy-6-methoxyisoquinoline-7-carbonitrile.
What is the SMILES notation for 4-hydroxy-6-methoxyisoquinoline-7-carbonitrile?
The canonical SMILES for 4-hydroxy-6-methoxyisoquinoline-7-carbonitrile is COc1cc2c(O)cncc2cc1C#N.
What is the InChIKey of 4-hydroxy-6-methoxyisoquinoline-7-carbonitrile?
The InChIKey is HRHOEKKISIDGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c1-15-11-3-9-8(2-7(11)4-12)5-13-6-10(9)14/h2-3,5-6,14H,1H3.
What are the key properties of 4-hydroxy-6-methoxyisoquinoline-7-carbonitrile?
4-hydroxy-6-methoxyisoquinoline-7-carbonitrile has a molecular weight of 200.20 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methoxyisoquinoline-7-carbonitrile is sourced from PubChem (CID 118414156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).