1-(2-methoxynaphthalen-1-yl)isoquinoline

C20H15NO — CID 11055243

IUPAC1-(2-methoxynaphthalen-1-yl)isoquinoline
SMILESCOc1ccc2ccccc2c1-c1nccc2ccccc12
InChIInChI=1S/C20H15NO/c1-22-18-11-10-14-6-2-4-8-16(14)19(18)20-17-9-5-3-7-15(17)12-13-21-20/h2-13H,1H3
InChIKeySNCXDVFXDNRUNB-UHFFFAOYSA-N
MW285.35 g/mol
LogP5.06
Rot. Bonds2

About 1-(2-methoxynaphthalen-1-yl)isoquinoline

1-(2-methoxynaphthalen-1-yl)isoquinoline (PubChem CID 11055243) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)isoquinoline.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)isoquinoline
PubChem CID11055243
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name1-(2-methoxynaphthalen-1-yl)isoquinoline
SMILESCOc1ccc2ccccc2c1-c1nccc2ccccc12
InChIInChI=1S/C20H15NO/c1-22-18-11-10-14-6-2-4-8-16(14)19(18)20-17-9-5-3-7-15(17)12-13-21-20/h2-13H,1H3
InChIKeySNCXDVFXDNRUNB-UHFFFAOYSA-N
XLogP5.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)isoquinoline?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)isoquinoline (CID 11055243) is 1-(2-methoxynaphthalen-1-yl)isoquinoline.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)isoquinoline?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)isoquinoline is COc1ccc2ccccc2c1-c1nccc2ccccc12.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)isoquinoline?
The InChIKey is SNCXDVFXDNRUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c1-22-18-11-10-14-6-2-4-8-16(14)19(18)20-17-9-5-3-7-15(17)12-13-21-20/h2-13H,1H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)isoquinoline?
1-(2-methoxynaphthalen-1-yl)isoquinoline has a molecular weight of 285.35 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)isoquinoline is sourced from PubChem (CID 11055243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).