7-(methoxymethyl)isoquinoline

C11H11NO — CID 23080891

IUPAC7-(methoxymethyl)isoquinoline
SMILESCOCc1ccc2ccncc2c1
InChIInChI=1S/C11H11NO/c1-13-8-9-2-3-10-4-5-12-7-11(10)6-9/h2-7H,8H2,1H3
InChIKeyLPAVTSLARLTWSI-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.38
Rot. Bonds2

About 7-(methoxymethyl)isoquinoline

7-(methoxymethyl)isoquinoline (PubChem CID 23080891) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 7-(methoxymethyl)isoquinoline.

Molecular Properties

Compound Name7-(methoxymethyl)isoquinoline
PubChem CID23080891
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name7-(methoxymethyl)isoquinoline
SMILESCOCc1ccc2ccncc2c1
InChIInChI=1S/C11H11NO/c1-13-8-9-2-3-10-4-5-12-7-11(10)6-9/h2-7H,8H2,1H3
InChIKeyLPAVTSLARLTWSI-UHFFFAOYSA-N
XLogP2.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)isoquinoline?
The IUPAC name of 7-(methoxymethyl)isoquinoline (CID 23080891) is 7-(methoxymethyl)isoquinoline.
What is the SMILES notation for 7-(methoxymethyl)isoquinoline?
The canonical SMILES for 7-(methoxymethyl)isoquinoline is COCc1ccc2ccncc2c1.
What is the InChIKey of 7-(methoxymethyl)isoquinoline?
The InChIKey is LPAVTSLARLTWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-13-8-9-2-3-10-4-5-12-7-11(10)6-9/h2-7H,8H2,1H3.
What are the key properties of 7-(methoxymethyl)isoquinoline?
7-(methoxymethyl)isoquinoline has a molecular weight of 173.21 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)isoquinoline is sourced from PubChem (CID 23080891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).