2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile

C17H22N4 — CID 63968929

IUPAC2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile
SMILESCCN(CC)CCNC(C#N)c1ccc2ncccc2c1
InChIInChI=1S/C17H22N4/c1-3-21(4-2)11-10-20-17(13-18)15-7-8-16-14(12-15)6-5-9-19-16/h5-9,12,17,20H,3-4,10-11H2,1-2H3
InChIKeyVXAWCPMEPXUUCG-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.73
Rot. Bonds7

About 2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile

2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile (PubChem CID 63968929) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile
PubChem CID63968929
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile
SMILESCCN(CC)CCNC(C#N)c1ccc2ncccc2c1
InChIInChI=1S/C17H22N4/c1-3-21(4-2)11-10-20-17(13-18)15-7-8-16-14(12-15)6-5-9-19-16/h5-9,12,17,20H,3-4,10-11H2,1-2H3
InChIKeyVXAWCPMEPXUUCG-UHFFFAOYSA-N
XLogP2.73
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile
CID 63968719
2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile
CID 63969155
2-(diethylamino)-2-quinolin-6-ylacetonitrile
CID 63970802
N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine
CID 81231421
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile
CID 61005956
2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile
CID 114937329
2-amino-2-quinolin-6-ylacetonitrile
CID 63968103
2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile
CID 63969132
N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677
2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile
CID 105378886
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine
CID 63968287

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile (CID 63968929) is 2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile is CCN(CC)CCNC(C#N)c1ccc2ncccc2c1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile?
The InChIKey is VXAWCPMEPXUUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-21(4-2)11-10-20-17(13-18)15-7-8-16-14(12-15)6-5-9-19-16/h5-9,12,17,20H,3-4,10-11H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile?
2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile has a molecular weight of 282.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile is sourced from PubChem (CID 63968929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).