2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile

C16H16N4O — CID 63884258

IUPAC2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile
SMILESCOCCN(CCC#N)c1cc(C#N)c2ccccc2n1
InChIInChI=1S/C16H16N4O/c1-21-10-9-20(8-4-7-17)16-11-13(12-18)14-5-2-3-6-15(14)19-16/h2-3,5-6,11H,4,8-10H2,1H3
InChIKeyRLZIXQYIBIXRTG-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.47
Rot. Bonds6

About 2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile

2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile (PubChem CID 63884258) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile
PubChem CID63884258
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile
SMILESCOCCN(CCC#N)c1cc(C#N)c2ccccc2n1
InChIInChI=1S/C16H16N4O/c1-21-10-9-20(8-4-7-17)16-11-13(12-18)14-5-2-3-6-15(14)19-16/h2-3,5-6,11H,4,8-10H2,1H3
InChIKeyRLZIXQYIBIXRTG-UHFFFAOYSA-N
XLogP2.47
TPSA72.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile?
The IUPAC name of 2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile (CID 63884258) is 2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile is COCCN(CCC#N)c1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile?
The InChIKey is RLZIXQYIBIXRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-21-10-9-20(8-4-7-17)16-11-13(12-18)14-5-2-3-6-15(14)19-16/h2-3,5-6,11H,4,8-10H2,1H3.
What are the key properties of 2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile?
2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile is sourced from PubChem (CID 63884258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).