3-quinolin-6-ylpropanenitrile

C12H10N2 — CID 53417284

IUPAC3-quinolin-6-ylpropanenitrile
SMILESN#CCCc1ccc2ncccc2c1
InChIInChI=1S/C12H10N2/c13-7-1-3-10-5-6-12-11(9-10)4-2-8-14-12/h2,4-6,8-9H,1,3H2
InChIKeyURIQWYPFLPAUCY-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.69
Rot. Bonds2

About 3-quinolin-6-ylpropanenitrile

3-quinolin-6-ylpropanenitrile (PubChem CID 53417284) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-quinolin-6-ylpropanenitrile.

Molecular Properties

Compound Name3-quinolin-6-ylpropanenitrile
PubChem CID53417284
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name3-quinolin-6-ylpropanenitrile
SMILESN#CCCc1ccc2ncccc2c1
InChIInChI=1S/C12H10N2/c13-7-1-3-10-5-6-12-11(9-10)4-2-8-14-12/h2,4-6,8-9H,1,3H2
InChIKeyURIQWYPFLPAUCY-UHFFFAOYSA-N
XLogP2.69
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-quinolin-6-ylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-chloroethyl)quinoline
CID 53404433
6-(2-bromoethyl)quinoline
CID 68811984
2-quinolin-6-yloxyacetonitrile
CID 70448045
6-[2-(oxiran-2-yl)ethyl]quinoline
CID 130239361
2-methyl-N-(2-quinolin-6-ylethyl)propan-2-amine
CID 62549001
4-methyl-1-quinolin-6-ylpentan-3-amine
CID 81224108
3-pyrimidin-2-ylpropanenitrile
CID 116998348
N-methyl-1-quinolin-6-ylpentan-3-amine
CID 81221541
6-(4-methylpent-2-ynyl)quinoline
CID 144911863
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
3-amino-3-quinolin-6-ylpropanenitrile
CID 55273076
ethyl(quinolin-6-ylmethyl)phosphane
CID 142150955

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-6-ylpropanenitrile?
The IUPAC name of 3-quinolin-6-ylpropanenitrile (CID 53417284) is 3-quinolin-6-ylpropanenitrile.
What is the SMILES notation for 3-quinolin-6-ylpropanenitrile?
The canonical SMILES for 3-quinolin-6-ylpropanenitrile is N#CCCc1ccc2ncccc2c1.
What is the InChIKey of 3-quinolin-6-ylpropanenitrile?
The InChIKey is URIQWYPFLPAUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c13-7-1-3-10-5-6-12-11(9-10)4-2-8-14-12/h2,4-6,8-9H,1,3H2.
What are the key properties of 3-quinolin-6-ylpropanenitrile?
3-quinolin-6-ylpropanenitrile has a molecular weight of 182.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-6-ylpropanenitrile is sourced from PubChem (CID 53417284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).