2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid

C16H11NO2S — CID 6299494

IUPAC2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(/C=C/c2ccsc2)nc2ccccc12
InChIInChI=1S/C16H11NO2S/c18-16(19)14-9-12(6-5-11-7-8-20-10-11)17-15-4-2-1-3-13(14)15/h1-10H,(H,18,19)/b6-5+
InChIKeyRSCARXDOJHQZQE-AATRIKPKSA-N
MW281.34 g/mol
LogP4.16
Rot. Bonds3

About 2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid

2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid (PubChem CID 6299494) has the molecular formula C16H11NO2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid
PubChem CID6299494
Molecular FormulaC16H11NO2S
Molecular Weight281.34 g/mol
Exact Mass281.05
IUPAC Name2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(/C=C/c2ccsc2)nc2ccccc12
InChIInChI=1S/C16H11NO2S/c18-16(19)14-9-12(6-5-11-7-8-20-10-11)17-15-4-2-1-3-13(14)15/h1-10H,(H,18,19)/b6-5+
InChIKeyRSCARXDOJHQZQE-AATRIKPKSA-N
XLogP4.16
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
CID 7720796
2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 3875764
2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 3340694
2-(2-thiophen-3-ylethenyl)quinoline
CID 3618780
4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate
CID 135749986
2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 4779971
2-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]quinoline-4-carboxylic acid
CID 9446901
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 135593934
2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 3465624
2-[(E)-2-[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]ethenyl]quinoline-4-carboxylic acid
CID 47073891
2-[(E)-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]quinoline-4-carboxylic acid
CID 16959770
2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate
CID 7988327

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid (CID 6299494) is 2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid is O=C(O)c1cc(/C=C/c2ccsc2)nc2ccccc12.
What is the InChIKey of 2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid?
The InChIKey is RSCARXDOJHQZQE-AATRIKPKSA-N. The full InChI is InChI=1S/C16H11NO2S/c18-16(19)14-9-12(6-5-11-7-8-20-10-11)17-15-4-2-1-3-13(14)15/h1-10H,(H,18,19)/b6-5+.
What are the key properties of 2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid?
2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid has a molecular weight of 281.34 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 6299494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).