6-methoxyisoquinoline

C10H9NO — CID 11040978

IUPAC6-methoxyisoquinoline
SMILESCOc1ccc2cnccc2c1
InChIInChI=1S/C10H9NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-7H,1H3
InChIKeyXZNUJESLPUNSNO-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.24
Rot. Bonds1

About 6-methoxyisoquinoline

6-methoxyisoquinoline (PubChem CID 11040978) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 6-methoxyisoquinoline.

Molecular Properties

Compound Name6-methoxyisoquinoline
PubChem CID11040978
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name6-methoxyisoquinoline
SMILESCOc1ccc2cnccc2c1
InChIInChI=1S/C10H9NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-7H,1H3
InChIKeyXZNUJESLPUNSNO-UHFFFAOYSA-N
XLogP2.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxyisoquinoline?
The IUPAC name of 6-methoxyisoquinoline (CID 11040978) is 6-methoxyisoquinoline.
What is the SMILES notation for 6-methoxyisoquinoline?
The canonical SMILES for 6-methoxyisoquinoline is COc1ccc2cnccc2c1.
What is the InChIKey of 6-methoxyisoquinoline?
The InChIKey is XZNUJESLPUNSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-7H,1H3.
What are the key properties of 6-methoxyisoquinoline?
6-methoxyisoquinoline has a molecular weight of 159.19 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyisoquinoline is sourced from PubChem (CID 11040978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).