2-(4,5-dihydroimidazo[1,5-a]quinolin-3-yl)acetonitrile

C13H11N3 — CID 67328853

IUPAC2-(4,5-dihydroimidazo[1,5-a]quinolin-3-yl)acetonitrile
SMILESN#CCc1ncn2c1CCc1ccccc1-2
InChIInChI=1S/C13H11N3/c14-8-7-11-13-6-5-10-3-1-2-4-12(10)16(13)9-15-11/h1-4,9H,5-7H2
InChIKeyUZPQFZRTVDZAIJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.04
Rot. Bonds1

About 2-(4,5-dihydroimidazo[1,5-a]quinolin-3-yl)acetonitrile

2-(4,5-dihydroimidazo[1,5-a]quinolin-3-yl)acetonitrile (PubChem CID 67328853) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(4,5-dihydroimidazo[1,5-a]quinolin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,5-dihydroimidazo[1,5-a]quinolin-3-yl)acetonitrile
PubChem CID67328853
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-(4,5-dihydroimidazo[1,5-a]quinolin-3-yl)acetonitrile
SMILESN#CCc1ncn2c1CCc1ccccc1-2
InChIInChI=1S/C13H11N3/c14-8-7-11-13-6-5-10-3-1-2-4-12(10)16(13)9-15-11/h1-4,9H,5-7H2
InChIKeyUZPQFZRTVDZAIJ-UHFFFAOYSA-N
XLogP2.04
TPSA41.61 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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroimidazo[1,5-a]quinolin-3-yl)acetonitrile?
The IUPAC name of 2-(4,5-dihydroimidazo[1,5-a]quinolin-3-yl)acetonitrile (CID 67328853) is 2-(4,5-dihydroimidazo[1,5-a]quinolin-3-yl)acetonitrile.
What is the SMILES notation for 2-(4,5-dihydroimidazo[1,5-a]quinolin-3-yl)acetonitrile?
The canonical SMILES for 2-(4,5-dihydroimidazo[1,5-a]quinolin-3-yl)acetonitrile is N#CCc1ncn2c1CCc1ccccc1-2.
What is the InChIKey of 2-(4,5-dihydroimidazo[1,5-a]quinolin-3-yl)acetonitrile?
The InChIKey is UZPQFZRTVDZAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-8-7-11-13-6-5-10-3-1-2-4-12(10)16(13)9-15-11/h1-4,9H,5-7H2.
What are the key properties of 2-(4,5-dihydroimidazo[1,5-a]quinolin-3-yl)acetonitrile?
2-(4,5-dihydroimidazo[1,5-a]quinolin-3-yl)acetonitrile has a molecular weight of 209.25 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroimidazo[1,5-a]quinolin-3-yl)acetonitrile is sourced from PubChem (CID 67328853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).