1-(2-methoxyphenyl)isoquinoline

C16H13NO — CID 23159734

IUPAC1-(2-methoxyphenyl)isoquinoline
SMILESCOc1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C16H13NO/c1-18-15-9-5-4-8-14(15)16-13-7-3-2-6-12(13)10-11-17-16/h2-11H,1H3
InChIKeyLWOKZJRVMMZTRV-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.91
Rot. Bonds2

About 1-(2-methoxyphenyl)isoquinoline

1-(2-methoxyphenyl)isoquinoline (PubChem CID 23159734) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)isoquinoline.

Molecular Properties

Compound Name1-(2-methoxyphenyl)isoquinoline
PubChem CID23159734
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name1-(2-methoxyphenyl)isoquinoline
SMILESCOc1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C16H13NO/c1-18-15-9-5-4-8-14(15)16-13-7-3-2-6-12(13)10-11-17-16/h2-11H,1H3
InChIKeyLWOKZJRVMMZTRV-UHFFFAOYSA-N
XLogP3.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)isoquinoline?
The IUPAC name of 1-(2-methoxyphenyl)isoquinoline (CID 23159734) is 1-(2-methoxyphenyl)isoquinoline.
What is the SMILES notation for 1-(2-methoxyphenyl)isoquinoline?
The canonical SMILES for 1-(2-methoxyphenyl)isoquinoline is COc1ccccc1-c1nccc2ccccc12.
What is the InChIKey of 1-(2-methoxyphenyl)isoquinoline?
The InChIKey is LWOKZJRVMMZTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-18-15-9-5-4-8-14(15)16-13-7-3-2-6-12(13)10-11-17-16/h2-11H,1H3.
What are the key properties of 1-(2-methoxyphenyl)isoquinoline?
1-(2-methoxyphenyl)isoquinoline has a molecular weight of 235.29 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)isoquinoline is sourced from PubChem (CID 23159734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).