4-(2,4-dimethylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile

C25H20N4 — CID 5330487

IUPAC4-(2,4-dimethylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile
SMILESCc1ccc(Nc2c(C#N)cnc3cc(/C=C/c4ccncc4)ccc23)c(C)c1
InChIInChI=1S/C25H20N4/c1-17-3-8-23(18(2)13-17)29-25-21(15-26)16-28-24-14-20(6-7-22(24)25)5-4-19-9-11-27-12-10-19/h3-14,16H,1-2H3,(H,28,29)/b5-4+
InChIKeyRIEDPTRJBXCPPZ-SNAWJCMRSA-N
MW376.46 g/mol
LogP6.03
Rot. Bonds4

About 4-(2,4-dimethylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile

4-(2,4-dimethylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile (PubChem CID 5330487) has the molecular formula C25H20N4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-(2,4-dimethylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dimethylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile
PubChem CID5330487
Molecular FormulaC25H20N4
Molecular Weight376.46 g/mol
Exact Mass376.17
IUPAC Name4-(2,4-dimethylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile
SMILESCc1ccc(Nc2c(C#N)cnc3cc(/C=C/c4ccncc4)ccc23)c(C)c1
InChIInChI=1S/C25H20N4/c1-17-3-8-23(18(2)13-17)29-25-21(15-26)16-28-24-14-20(6-7-22(24)25)5-4-19-9-11-27-12-10-19/h3-14,16H,1-2H3,(H,28,29)/b5-4+
InChIKeyRIEDPTRJBXCPPZ-SNAWJCMRSA-N
XLogP6.03
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile?
The IUPAC name of 4-(2,4-dimethylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile (CID 5330487) is 4-(2,4-dimethylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile.
What is the SMILES notation for 4-(2,4-dimethylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile?
The canonical SMILES for 4-(2,4-dimethylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile is Cc1ccc(Nc2c(C#N)cnc3cc(/C=C/c4ccncc4)ccc23)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile?
The InChIKey is RIEDPTRJBXCPPZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C25H20N4/c1-17-3-8-23(18(2)13-17)29-25-21(15-26)16-28-24-14-20(6-7-22(24)25)5-4-19-9-11-27-12-10-19/h3-14,16H,1-2H3,(H,28,29)/b5-4+.
What are the key properties of 4-(2,4-dimethylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile?
4-(2,4-dimethylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile has a molecular weight of 376.46 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile is sourced from PubChem (CID 5330487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).