6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline

C17H13N3 — CID 166360060

IUPAC6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline
SMILESCn1cc(-c2ccc3cnccc3c2)c2ccncc21
InChIInChI=1S/C17H13N3/c1-20-11-16(15-5-7-19-10-17(15)20)13-2-3-14-9-18-6-4-12(14)8-13/h2-11H,1H3
InChIKeyIRXPYUYLLIHGDB-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.79
Rot. Bonds1

About 6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline

6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline (PubChem CID 166360060) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline.

Molecular Properties

Compound Name6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline
PubChem CID166360060
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline
SMILESCn1cc(-c2ccc3cnccc3c2)c2ccncc21
InChIInChI=1S/C17H13N3/c1-20-11-16(15-5-7-19-10-17(15)20)13-2-3-14-9-18-6-4-12(14)8-13/h2-11H,1H3
InChIKeyIRXPYUYLLIHGDB-UHFFFAOYSA-N
XLogP3.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline?
The IUPAC name of 6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline (CID 166360060) is 6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline.
What is the SMILES notation for 6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline?
The canonical SMILES for 6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline is Cn1cc(-c2ccc3cnccc3c2)c2ccncc21.
What is the InChIKey of 6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline?
The InChIKey is IRXPYUYLLIHGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-20-11-16(15-5-7-19-10-17(15)20)13-2-3-14-9-18-6-4-12(14)8-13/h2-11H,1H3.
What are the key properties of 6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline?
6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline has a molecular weight of 259.31 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline is sourced from PubChem (CID 166360060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).