2-(diethylamino)-2-quinolin-6-ylacetonitrile

C15H17N3 — CID 63970802

IUPAC2-(diethylamino)-2-quinolin-6-ylacetonitrile
SMILESCCN(CC)C(C#N)c1ccc2ncccc2c1
InChIInChI=1S/C15H17N3/c1-3-18(4-2)15(11-16)13-7-8-14-12(10-13)6-5-9-17-14/h5-10,15H,3-4H2,1-2H3
InChIKeyFYOWRIGIVCXPNL-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.14
Rot. Bonds4

About 2-(diethylamino)-2-quinolin-6-ylacetonitrile

2-(diethylamino)-2-quinolin-6-ylacetonitrile (PubChem CID 63970802) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(diethylamino)-2-quinolin-6-ylacetonitrile.

Molecular Properties

Compound Name2-(diethylamino)-2-quinolin-6-ylacetonitrile
PubChem CID63970802
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-(diethylamino)-2-quinolin-6-ylacetonitrile
SMILESCCN(CC)C(C#N)c1ccc2ncccc2c1
InChIInChI=1S/C15H17N3/c1-3-18(4-2)15(11-16)13-7-8-14-12(10-13)6-5-9-17-14/h5-10,15H,3-4H2,1-2H3
InChIKeyFYOWRIGIVCXPNL-UHFFFAOYSA-N
XLogP3.14
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-quinolin-6-ylacetonitrile
CID 63968103
N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine
CID 63968287
2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile
CID 63968929
3-amino-3-quinolin-6-ylpropanenitrile
CID 55273076
2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile
CID 63968719
N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine
CID 81231421
1-quinolin-6-ylbutan-1-amine
CID 63095616
2-quinolin-6-yl-2-trimethylsilyloxyacetonitrile
CID 63970187
2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile
CID 79133168
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
1-quinolin-6-ylbutane-1,2-diol
CID 103454747
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-quinolin-6-ylacetonitrile?
The IUPAC name of 2-(diethylamino)-2-quinolin-6-ylacetonitrile (CID 63970802) is 2-(diethylamino)-2-quinolin-6-ylacetonitrile.
What is the SMILES notation for 2-(diethylamino)-2-quinolin-6-ylacetonitrile?
The canonical SMILES for 2-(diethylamino)-2-quinolin-6-ylacetonitrile is CCN(CC)C(C#N)c1ccc2ncccc2c1.
What is the InChIKey of 2-(diethylamino)-2-quinolin-6-ylacetonitrile?
The InChIKey is FYOWRIGIVCXPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-3-18(4-2)15(11-16)13-7-8-14-12(10-13)6-5-9-17-14/h5-10,15H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)-2-quinolin-6-ylacetonitrile?
2-(diethylamino)-2-quinolin-6-ylacetonitrile has a molecular weight of 239.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-quinolin-6-ylacetonitrile is sourced from PubChem (CID 63970802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).