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

C19H14N2O2S — CID 58485083

IUPAC4-(2-pyridin-3-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(CCc1cccnc1)c1ccsc12
InChIInChI=1S/C19H14N2O2S/c22-19(23)13-4-5-14-17(10-13)21-16(15-7-9-24-18(14)15)6-3-12-2-1-8-20-11-12/h1-2,4-5,7-11H,3,6H2,(H,22,23)
InChIKeyNMVGVQYMFGXEFL-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.33
Rot. Bonds4

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

4-(2-pyridin-3-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid (PubChem CID 58485083) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-(2-pyridin-3-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(2-pyridin-3-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid
PubChem CID58485083
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name4-(2-pyridin-3-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(CCc1cccnc1)c1ccsc12
InChIInChI=1S/C19H14N2O2S/c22-19(23)13-4-5-14-17(10-13)21-16(15-7-9-24-18(14)15)6-3-12-2-1-8-20-11-12/h1-2,4-5,7-11H,3,6H2,(H,22,23)
InChIKeyNMVGVQYMFGXEFL-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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Related Compounds

3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264927
4-[6-(4-pyridin-3-ylbutyl)-1,3-benzothiazol-2-yl]benzoic acid
CID 89482235
4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264970
4-iodo-3-(pyridin-3-ylmethoxy)benzoic acid
CID 114103651
3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid
CID 55107885
4-[(2-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62215588
4-(2-pyridin-3-ylethylsulfonyl)benzoic acid
CID 63262552
2-(2-pyridin-3-ylethyl)-1,3-thiazole
CID 141425533
2-pyridin-3-yl-1,3-benzothiazole-6-carboxylic acid
CID 39105580
2-(pyridin-3-ylmethylamino)-1,3-benzoxazole-6-carboxylic acid
CID 116690619
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-3-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid?
The IUPAC name of 4-(2-pyridin-3-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid (CID 58485083) is 4-(2-pyridin-3-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-(2-pyridin-3-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid?
The canonical SMILES for 4-(2-pyridin-3-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid is O=C(O)c1ccc2c(c1)nc(CCc1cccnc1)c1ccsc12.
What is the InChIKey of 4-(2-pyridin-3-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid?
The InChIKey is NMVGVQYMFGXEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-19(23)13-4-5-14-17(10-13)21-16(15-7-9-24-18(14)15)6-3-12-2-1-8-20-11-12/h1-2,4-5,7-11H,3,6H2,(H,22,23).
What are the key properties of 4-(2-pyridin-3-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid?
4-(2-pyridin-3-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-3-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid is sourced from PubChem (CID 58485083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).