7-methylthieno[2,3-b]quinoline-2-carboxylate

C13H8NO2S- — CID 4126375

IUPAC7-methylthieno[2,3-b]quinoline-2-carboxylate
SMILESCc1ccc2cc3cc(C(=O)[O-])sc3nc2c1
InChIInChI=1S/C13H9NO2S/c1-7-2-3-8-5-9-6-11(13(15)16)17-12(9)14-10(8)4-7/h2-6H,1H3,(H,15,16)/p-1
InChIKeySTFBAYHWAROTRN-UHFFFAOYSA-M
MW242.28 g/mol
LogP2.12
Rot. Bonds1

About 7-methylthieno[2,3-b]quinoline-2-carboxylate

7-methylthieno[2,3-b]quinoline-2-carboxylate (PubChem CID 4126375) has the molecular formula C13H8NO2S- and a molecular weight of 242.28 g/mol. Its IUPAC name is 7-methylthieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Name7-methylthieno[2,3-b]quinoline-2-carboxylate
PubChem CID4126375
Molecular FormulaC13H8NO2S-
Molecular Weight242.28 g/mol
Exact Mass242.03
IUPAC Name7-methylthieno[2,3-b]quinoline-2-carboxylate
SMILESCc1ccc2cc3cc(C(=O)[O-])sc3nc2c1
InChIInChI=1S/C13H9NO2S/c1-7-2-3-8-5-9-6-11(13(15)16)17-12(9)14-10(8)4-7/h2-6H,1H3,(H,15,16)/p-1
InChIKeySTFBAYHWAROTRN-UHFFFAOYSA-M
XLogP2.12
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methylthieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of 7-methylthieno[2,3-b]quinoline-2-carboxylate (CID 4126375) is 7-methylthieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for 7-methylthieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for 7-methylthieno[2,3-b]quinoline-2-carboxylate is Cc1ccc2cc3cc(C(=O)[O-])sc3nc2c1.
What is the InChIKey of 7-methylthieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is STFBAYHWAROTRN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9NO2S/c1-7-2-3-8-5-9-6-11(13(15)16)17-12(9)14-10(8)4-7/h2-6H,1H3,(H,15,16)/p-1.
What are the key properties of 7-methylthieno[2,3-b]quinoline-2-carboxylate?
7-methylthieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 242.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylthieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 4126375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).