1-(1-methylimidazol-2-yl)isoquinoline

C13H11N3 — CID 69469686

IUPAC1-(1-methylimidazol-2-yl)isoquinoline
SMILESCn1ccnc1-c1nccc2ccccc12
InChIInChI=1S/C13H11N3/c1-16-9-8-15-13(16)12-11-5-3-2-4-10(11)6-7-14-12/h2-9H,1H3
InChIKeyQGAIWVSAQMZAMY-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.64
Rot. Bonds1

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

1-(1-methylimidazol-2-yl)isoquinoline (PubChem CID 69469686) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)isoquinoline.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)isoquinoline
PubChem CID69469686
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name1-(1-methylimidazol-2-yl)isoquinoline
SMILESCn1ccnc1-c1nccc2ccccc12
InChIInChI=1S/C13H11N3/c1-16-9-8-15-13(16)12-11-5-3-2-4-10(11)6-7-14-12/h2-9H,1H3
InChIKeyQGAIWVSAQMZAMY-UHFFFAOYSA-N
XLogP2.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)isoquinoline?
The IUPAC name of 1-(1-methylimidazol-2-yl)isoquinoline (CID 69469686) is 1-(1-methylimidazol-2-yl)isoquinoline.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)isoquinoline?
The canonical SMILES for 1-(1-methylimidazol-2-yl)isoquinoline is Cn1ccnc1-c1nccc2ccccc12.
What is the InChIKey of 1-(1-methylimidazol-2-yl)isoquinoline?
The InChIKey is QGAIWVSAQMZAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-16-9-8-15-13(16)12-11-5-3-2-4-10(11)6-7-14-12/h2-9H,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)isoquinoline?
1-(1-methylimidazol-2-yl)isoquinoline has a molecular weight of 209.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)isoquinoline is sourced from PubChem (CID 69469686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).