2-quinolin-6-yloxyacetonitrile

C11H8N2O — CID 70448045

IUPAC2-quinolin-6-yloxyacetonitrile
SMILESN#CCOc1ccc2ncccc2c1
InChIInChI=1S/C11H8N2O/c12-5-7-14-10-3-4-11-9(8-10)2-1-6-13-11/h1-4,6,8H,7H2
InChIKeyCECGOKSIAWGSGL-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.14
Rot. Bonds2

About 2-quinolin-6-yloxyacetonitrile

2-quinolin-6-yloxyacetonitrile (PubChem CID 70448045) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-quinolin-6-yloxyacetonitrile.

Molecular Properties

Compound Name2-quinolin-6-yloxyacetonitrile
PubChem CID70448045
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2-quinolin-6-yloxyacetonitrile
SMILESN#CCOc1ccc2ncccc2c1
InChIInChI=1S/C11H8N2O/c12-5-7-14-10-3-4-11-9(8-10)2-1-6-13-11/h1-4,6,8H,7H2
InChIKeyCECGOKSIAWGSGL-UHFFFAOYSA-N
XLogP2.14
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-quinolin-6-yloxyethoxy)benzonitrile
CID 56799582
6-prop-2-enoxyquinoline
CID 21107330
3-quinolin-6-ylpropanenitrile
CID 53417284
6-tridecoxyquinoline
CID 174908858
1-quinolin-6-yloxypropan-2-amine
CID 86262441
6-quinolin-6-yloxypyridine-2-carbonitrile
CID 133392287
6-[(2-methylpropan-2-yl)oxy]quinoline
CID 59854598
ethene;6-methoxyquinoline
CID 174599262
[4-(quinolin-6-yloxymethyl)phenyl]methanol
CID 110005974
6-[(4-fluorophenyl)methoxy]quinoline
CID 60595158
6-phosphorosooxyquinoline
CID 21130862
quinolin-6-yl formate
CID 57289431

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-6-yloxyacetonitrile?
The IUPAC name of 2-quinolin-6-yloxyacetonitrile (CID 70448045) is 2-quinolin-6-yloxyacetonitrile.
What is the SMILES notation for 2-quinolin-6-yloxyacetonitrile?
The canonical SMILES for 2-quinolin-6-yloxyacetonitrile is N#CCOc1ccc2ncccc2c1.
What is the InChIKey of 2-quinolin-6-yloxyacetonitrile?
The InChIKey is CECGOKSIAWGSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c12-5-7-14-10-3-4-11-9(8-10)2-1-6-13-11/h1-4,6,8H,7H2.
What are the key properties of 2-quinolin-6-yloxyacetonitrile?
2-quinolin-6-yloxyacetonitrile has a molecular weight of 184.20 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-6-yloxyacetonitrile is sourced from PubChem (CID 70448045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).