1-methoxy-3-methylisoquinoline

C11H11NO — CID 66489764

IUPAC1-methoxy-3-methylisoquinoline
SMILESCOc1nc(C)cc2ccccc12
InChIInChI=1S/C11H11NO/c1-8-7-9-5-3-4-6-10(9)11(12-8)13-2/h3-7H,1-2H3
InChIKeyCWGLJPKJZIKGMJ-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.55
Rot. Bonds1

About 1-methoxy-3-methylisoquinoline

1-methoxy-3-methylisoquinoline (PubChem CID 66489764) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-methoxy-3-methylisoquinoline.

Molecular Properties

Compound Name1-methoxy-3-methylisoquinoline
PubChem CID66489764
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1-methoxy-3-methylisoquinoline
SMILESCOc1nc(C)cc2ccccc12
InChIInChI=1S/C11H11NO/c1-8-7-9-5-3-4-6-10(9)11(12-8)13-2/h3-7H,1-2H3
InChIKeyCWGLJPKJZIKGMJ-UHFFFAOYSA-N
XLogP2.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methylisoquinoline?
The IUPAC name of 1-methoxy-3-methylisoquinoline (CID 66489764) is 1-methoxy-3-methylisoquinoline.
What is the SMILES notation for 1-methoxy-3-methylisoquinoline?
The canonical SMILES for 1-methoxy-3-methylisoquinoline is COc1nc(C)cc2ccccc12.
What is the InChIKey of 1-methoxy-3-methylisoquinoline?
The InChIKey is CWGLJPKJZIKGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-7-9-5-3-4-6-10(9)11(12-8)13-2/h3-7H,1-2H3.
What are the key properties of 1-methoxy-3-methylisoquinoline?
1-methoxy-3-methylisoquinoline has a molecular weight of 173.21 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methylisoquinoline is sourced from PubChem (CID 66489764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).