1-(5-methoxyindol-1-yl)isoquinoline

C18H14N2O — CID 162514100

IUPAC1-(5-methoxyindol-1-yl)isoquinoline
SMILESCOc1ccc2c(ccn2-c2nccc3ccccc23)c1
InChIInChI=1S/C18H14N2O/c1-21-15-6-7-17-14(12-15)9-11-20(17)18-16-5-3-2-4-13(16)8-10-19-18/h2-12H,1H3
InChIKeyKHJVRCRRBYOFFW-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.19
Rot. Bonds2

About 1-(5-methoxyindol-1-yl)isoquinoline

1-(5-methoxyindol-1-yl)isoquinoline (PubChem CID 162514100) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(5-methoxyindol-1-yl)isoquinoline.

Molecular Properties

Compound Name1-(5-methoxyindol-1-yl)isoquinoline
PubChem CID162514100
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name1-(5-methoxyindol-1-yl)isoquinoline
SMILESCOc1ccc2c(ccn2-c2nccc3ccccc23)c1
InChIInChI=1S/C18H14N2O/c1-21-15-6-7-17-14(12-15)9-11-20(17)18-16-5-3-2-4-13(16)8-10-19-18/h2-12H,1H3
InChIKeyKHJVRCRRBYOFFW-UHFFFAOYSA-N
XLogP4.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxyindol-1-yl)isoquinoline?
The IUPAC name of 1-(5-methoxyindol-1-yl)isoquinoline (CID 162514100) is 1-(5-methoxyindol-1-yl)isoquinoline.
What is the SMILES notation for 1-(5-methoxyindol-1-yl)isoquinoline?
The canonical SMILES for 1-(5-methoxyindol-1-yl)isoquinoline is COc1ccc2c(ccn2-c2nccc3ccccc23)c1.
What is the InChIKey of 1-(5-methoxyindol-1-yl)isoquinoline?
The InChIKey is KHJVRCRRBYOFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-21-15-6-7-17-14(12-15)9-11-20(17)18-16-5-3-2-4-13(16)8-10-19-18/h2-12H,1H3.
What are the key properties of 1-(5-methoxyindol-1-yl)isoquinoline?
1-(5-methoxyindol-1-yl)isoquinoline has a molecular weight of 274.32 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxyindol-1-yl)isoquinoline is sourced from PubChem (CID 162514100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).