2-(2,4-dimethylanilino)quinoline-4-carbonitrile

C18H15N3 — CID 63883902

IUPAC2-(2,4-dimethylanilino)quinoline-4-carbonitrile
SMILESCc1ccc(Nc2cc(C#N)c3ccccc3n2)c(C)c1
InChIInChI=1S/C18H15N3/c1-12-7-8-16(13(2)9-12)20-18-10-14(11-19)15-5-3-4-6-17(15)21-18/h3-10H,1-2H3,(H,20,21)
InChIKeyZGYSYLSJBSNMOJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.47
Rot. Bonds2

About 2-(2,4-dimethylanilino)quinoline-4-carbonitrile

2-(2,4-dimethylanilino)quinoline-4-carbonitrile (PubChem CID 63883902) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)quinoline-4-carbonitrile
PubChem CID63883902
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2-(2,4-dimethylanilino)quinoline-4-carbonitrile
SMILESCc1ccc(Nc2cc(C#N)c3ccccc3n2)c(C)c1
InChIInChI=1S/C18H15N3/c1-12-7-8-16(13(2)9-12)20-18-10-14(11-19)15-5-3-4-6-17(15)21-18/h3-10H,1-2H3,(H,20,21)
InChIKeyZGYSYLSJBSNMOJ-UHFFFAOYSA-N
XLogP4.47
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)quinoline-4-carbonitrile?
The IUPAC name of 2-(2,4-dimethylanilino)quinoline-4-carbonitrile (CID 63883902) is 2-(2,4-dimethylanilino)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(2,4-dimethylanilino)quinoline-4-carbonitrile?
The canonical SMILES for 2-(2,4-dimethylanilino)quinoline-4-carbonitrile is Cc1ccc(Nc2cc(C#N)c3ccccc3n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)quinoline-4-carbonitrile?
The InChIKey is ZGYSYLSJBSNMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-12-7-8-16(13(2)9-12)20-18-10-14(11-19)15-5-3-4-6-17(15)21-18/h3-10H,1-2H3,(H,20,21).
What are the key properties of 2-(2,4-dimethylanilino)quinoline-4-carbonitrile?
2-(2,4-dimethylanilino)quinoline-4-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)quinoline-4-carbonitrile is sourced from PubChem (CID 63883902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).