5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid

C15H11NO2S — CID 81224038

IUPAC5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid
SMILESCc1ccc2cc(-c3ccc(C(=O)O)s3)ccc2n1
InChIInChI=1S/C15H11NO2S/c1-9-2-3-10-8-11(4-5-12(10)16-9)13-6-7-14(19-13)15(17)18/h2-8H,1H3,(H,17,18)
InChIKeyNZYMFPJCVXSFPU-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.97
Rot. Bonds2

About 5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid

5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid (PubChem CID 81224038) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid
PubChem CID81224038
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid
SMILESCc1ccc2cc(-c3ccc(C(=O)O)s3)ccc2n1
InChIInChI=1S/C15H11NO2S/c1-9-2-3-10-8-11(4-5-12(10)16-9)13-6-7-14(19-13)15(17)18/h2-8H,1H3,(H,17,18)
InChIKeyNZYMFPJCVXSFPU-UHFFFAOYSA-N
XLogP3.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid (CID 81224038) is 5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid is Cc1ccc2cc(-c3ccc(C(=O)O)s3)ccc2n1.
What is the InChIKey of 5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid?
The InChIKey is NZYMFPJCVXSFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c1-9-2-3-10-8-11(4-5-12(10)16-9)13-6-7-14(19-13)15(17)18/h2-8H,1H3,(H,17,18).
What are the key properties of 5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid?
5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 81224038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).