2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate

C19H11N2O2- — CID 7988327

IUPAC2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate
SMILESN#Cc1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc1
InChIInChI=1S/C19H12N2O2/c20-12-14-7-5-13(6-8-14)9-10-15-11-17(19(22)23)16-3-1-2-4-18(16)21-15/h1-11H,(H,22,23)/p-1/b10-9+
InChIKeyCLRKAPUCARTOIT-MDZDMXLPSA-M
MW299.31 g/mol
LogP2.64
Rot. Bonds3

About 2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate

2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate (PubChem CID 7988327) has the molecular formula C19H11N2O2- and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate.

Molecular Properties

Compound Name2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate
PubChem CID7988327
Molecular FormulaC19H11N2O2-
Molecular Weight299.31 g/mol
Exact Mass299.08
IUPAC Name2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate
SMILESN#Cc1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc1
InChIInChI=1S/C19H12N2O2/c20-12-14-7-5-13(6-8-14)9-10-15-11-17(19(22)23)16-3-1-2-4-18(16)21-15/h1-11H,(H,22,23)/p-1/b10-9+
InChIKeyCLRKAPUCARTOIT-MDZDMXLPSA-M
XLogP2.64
TPSA76.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate?
The IUPAC name of 2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate (CID 7988327) is 2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate.
What is the SMILES notation for 2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate?
The canonical SMILES for 2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate is N#Cc1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc1.
What is the InChIKey of 2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate?
The InChIKey is CLRKAPUCARTOIT-MDZDMXLPSA-M. The full InChI is InChI=1S/C19H12N2O2/c20-12-14-7-5-13(6-8-14)9-10-15-11-17(19(22)23)16-3-1-2-4-18(16)21-15/h1-11H,(H,22,23)/p-1/b10-9+.
What are the key properties of 2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate?
2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate has a molecular weight of 299.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate is sourced from PubChem (CID 7988327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).