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

C18H15N3 — CID 63884306

IUPAC2-(N,2-dimethylanilino)quinoline-4-carbonitrile
SMILESCc1ccccc1N(C)c1cc(C#N)c2ccccc2n1
InChIInChI=1S/C18H15N3/c1-13-7-3-6-10-17(13)21(2)18-11-14(12-19)15-8-4-5-9-16(15)20-18/h3-11H,1-2H3
InChIKeyUMGJKEKUDFJEPA-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.18
Rot. Bonds2

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

2-(N,2-dimethylanilino)quinoline-4-carbonitrile (PubChem CID 63884306) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(N,2-dimethylanilino)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(N,2-dimethylanilino)quinoline-4-carbonitrile
PubChem CID63884306
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2-(N,2-dimethylanilino)quinoline-4-carbonitrile
SMILESCc1ccccc1N(C)c1cc(C#N)c2ccccc2n1
InChIInChI=1S/C18H15N3/c1-13-7-3-6-10-17(13)21(2)18-11-14(12-19)15-8-4-5-9-16(15)20-18/h3-11H,1-2H3
InChIKeyUMGJKEKUDFJEPA-UHFFFAOYSA-N
XLogP4.18
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N,2-dimethylanilino)quinoline-4-carbonitrile?
The IUPAC name of 2-(N,2-dimethylanilino)quinoline-4-carbonitrile (CID 63884306) is 2-(N,2-dimethylanilino)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(N,2-dimethylanilino)quinoline-4-carbonitrile?
The canonical SMILES for 2-(N,2-dimethylanilino)quinoline-4-carbonitrile is Cc1ccccc1N(C)c1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-(N,2-dimethylanilino)quinoline-4-carbonitrile?
The InChIKey is UMGJKEKUDFJEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-13-7-3-6-10-17(13)21(2)18-11-14(12-19)15-8-4-5-9-16(15)20-18/h3-11H,1-2H3.
What are the key properties of 2-(N,2-dimethylanilino)quinoline-4-carbonitrile?
2-(N,2-dimethylanilino)quinoline-4-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,2-dimethylanilino)quinoline-4-carbonitrile is sourced from PubChem (CID 63884306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).