4-(2-pyridin-2-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid

C19H14N2O2S — CID 58485095

IUPAC4-(2-pyridin-2-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(CCc1ccccn1)c1ccsc12
InChIInChI=1S/C19H14N2O2S/c22-19(23)12-4-6-14-17(11-12)21-16(15-8-10-24-18(14)15)7-5-13-3-1-2-9-20-13/h1-4,6,8-11H,5,7H2,(H,22,23)
InChIKeyZLNKYUPAZAHMSE-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.33
Rot. Bonds4

About 4-(2-pyridin-2-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid

4-(2-pyridin-2-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid (PubChem CID 58485095) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-(2-pyridin-2-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(2-pyridin-2-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid
PubChem CID58485095
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name4-(2-pyridin-2-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(CCc1ccccn1)c1ccsc12
InChIInChI=1S/C19H14N2O2S/c22-19(23)12-4-6-14-17(11-12)21-16(15-8-10-24-18(14)15)7-5-13-3-1-2-9-20-13/h1-4,6,8-11H,5,7H2,(H,22,23)
InChIKeyZLNKYUPAZAHMSE-UHFFFAOYSA-N
XLogP4.33
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid?
The IUPAC name of 4-(2-pyridin-2-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid (CID 58485095) is 4-(2-pyridin-2-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-(2-pyridin-2-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid?
The canonical SMILES for 4-(2-pyridin-2-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid is O=C(O)c1ccc2c(c1)nc(CCc1ccccn1)c1ccsc12.
What is the InChIKey of 4-(2-pyridin-2-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid?
The InChIKey is ZLNKYUPAZAHMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-19(23)12-4-6-14-17(11-12)21-16(15-8-10-24-18(14)15)7-5-13-3-1-2-9-20-13/h1-4,6,8-11H,5,7H2,(H,22,23).
What are the key properties of 4-(2-pyridin-2-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid?
4-(2-pyridin-2-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid has a molecular weight of 334.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid is sourced from PubChem (CID 58485095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).