4-(6-methoxynaphthalen-2-yl)isoquinoline

C20H15NO — CID 24754344

IUPAC4-(6-methoxynaphthalen-2-yl)isoquinoline
SMILESCOc1ccc2cc(-c3cncc4ccccc34)ccc2c1
InChIInChI=1S/C20H15NO/c1-22-18-9-8-14-10-16(7-6-15(14)11-18)20-13-21-12-17-4-2-3-5-19(17)20/h2-13H,1H3
InChIKeySGBOBLSELUHWRG-UHFFFAOYSA-N
MW285.35 g/mol
LogP5.06
Rot. Bonds2

About 4-(6-methoxynaphthalen-2-yl)isoquinoline

4-(6-methoxynaphthalen-2-yl)isoquinoline (PubChem CID 24754344) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)isoquinoline.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)isoquinoline
PubChem CID24754344
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name4-(6-methoxynaphthalen-2-yl)isoquinoline
SMILESCOc1ccc2cc(-c3cncc4ccccc34)ccc2c1
InChIInChI=1S/C20H15NO/c1-22-18-9-8-14-10-16(7-6-15(14)11-18)20-13-21-12-17-4-2-3-5-19(17)20/h2-13H,1H3
InChIKeySGBOBLSELUHWRG-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 4-(6-methoxynaphthalen-2-yl)isoquinoline?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)isoquinoline (CID 24754344) is 4-(6-methoxynaphthalen-2-yl)isoquinoline.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)isoquinoline?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)isoquinoline is COc1ccc2cc(-c3cncc4ccccc34)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)isoquinoline?
The InChIKey is SGBOBLSELUHWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c1-22-18-9-8-14-10-16(7-6-15(14)11-18)20-13-21-12-17-4-2-3-5-19(17)20/h2-13H,1H3.
What are the key properties of 4-(6-methoxynaphthalen-2-yl)isoquinoline?
4-(6-methoxynaphthalen-2-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 4-(6-methoxynaphthalen-2-yl)isoquinoline is sourced from PubChem (CID 24754344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).