2-anilino-4-[(E)-2-(dimethylamino)ethenyl]quinoline-3-carbonitrile

C20H18N4 — CID 134588136

IUPAC2-anilino-4-[(E)-2-(dimethylamino)ethenyl]quinoline-3-carbonitrile
SMILESCN(C)/C=C/c1c(C#N)c(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C20H18N4/c1-24(2)13-12-16-17-10-6-7-11-19(17)23-20(18(16)14-21)22-15-8-4-3-5-9-15/h3-13H,1-2H3,(H,22,23)/b13-12+
InChIKeyFMHUOMDRQCJWBW-OUKQBFOZSA-N
MW314.39 g/mol
LogP4.38
Rot. Bonds4

About 2-anilino-4-[(E)-2-(dimethylamino)ethenyl]quinoline-3-carbonitrile

2-anilino-4-[(E)-2-(dimethylamino)ethenyl]quinoline-3-carbonitrile (PubChem CID 134588136) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-anilino-4-[(E)-2-(dimethylamino)ethenyl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-anilino-4-[(E)-2-(dimethylamino)ethenyl]quinoline-3-carbonitrile
PubChem CID134588136
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name2-anilino-4-[(E)-2-(dimethylamino)ethenyl]quinoline-3-carbonitrile
SMILESCN(C)/C=C/c1c(C#N)c(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C20H18N4/c1-24(2)13-12-16-17-10-6-7-11-19(17)23-20(18(16)14-21)22-15-8-4-3-5-9-15/h3-13H,1-2H3,(H,22,23)/b13-12+
InChIKeyFMHUOMDRQCJWBW-OUKQBFOZSA-N
XLogP4.38
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-[(E)-2-(dimethylamino)ethenyl]quinoline-3-carbonitrile?
The IUPAC name of 2-anilino-4-[(E)-2-(dimethylamino)ethenyl]quinoline-3-carbonitrile (CID 134588136) is 2-anilino-4-[(E)-2-(dimethylamino)ethenyl]quinoline-3-carbonitrile.
What is the SMILES notation for 2-anilino-4-[(E)-2-(dimethylamino)ethenyl]quinoline-3-carbonitrile?
The canonical SMILES for 2-anilino-4-[(E)-2-(dimethylamino)ethenyl]quinoline-3-carbonitrile is CN(C)/C=C/c1c(C#N)c(Nc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-anilino-4-[(E)-2-(dimethylamino)ethenyl]quinoline-3-carbonitrile?
The InChIKey is FMHUOMDRQCJWBW-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H18N4/c1-24(2)13-12-16-17-10-6-7-11-19(17)23-20(18(16)14-21)22-15-8-4-3-5-9-15/h3-13H,1-2H3,(H,22,23)/b13-12+.
What are the key properties of 2-anilino-4-[(E)-2-(dimethylamino)ethenyl]quinoline-3-carbonitrile?
2-anilino-4-[(E)-2-(dimethylamino)ethenyl]quinoline-3-carbonitrile has a molecular weight of 314.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-[(E)-2-(dimethylamino)ethenyl]quinoline-3-carbonitrile is sourced from PubChem (CID 134588136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).