2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide

C17H16N4O — CID 3075652

IUPAC2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C(C#N)C#N)nc2ccccc12
InChIInChI=1S/C17H16N4O/c1-3-21(4-2)17(22)14-9-16(12(10-18)11-19)20-15-8-6-5-7-13(14)15/h5-9,12H,3-4H2,1-2H3
InChIKeyXKEXSNWLUPJZKT-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.85
Rot. Bonds4

About 2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide

2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide (PubChem CID 3075652) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide
PubChem CID3075652
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C(C#N)C#N)nc2ccccc12
InChIInChI=1S/C17H16N4O/c1-3-21(4-2)17(22)14-9-16(12(10-18)11-19)20-15-8-6-5-7-13(14)15/h5-9,12H,3-4H2,1-2H3
InChIKeyXKEXSNWLUPJZKT-UHFFFAOYSA-N
XLogP2.85
TPSA80.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide?
The IUPAC name of 2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide (CID 3075652) is 2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide.
What is the SMILES notation for 2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide?
The canonical SMILES for 2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide is CCN(CC)C(=O)c1cc(C(C#N)C#N)nc2ccccc12.
What is the InChIKey of 2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide?
The InChIKey is XKEXSNWLUPJZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-3-21(4-2)17(22)14-9-16(12(10-18)11-19)20-15-8-6-5-7-13(14)15/h5-9,12H,3-4H2,1-2H3.
What are the key properties of 2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide?
2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide is sourced from PubChem (CID 3075652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).