7-methoxythieno[2,3-b]quinoline-2-carboxylic acid

C13H9NO3S — CID 778245

IUPAC7-methoxythieno[2,3-b]quinoline-2-carboxylic acid
SMILESCOc1ccc2cc3cc(C(=O)O)sc3nc2c1
InChIInChI=1S/C13H9NO3S/c1-17-9-3-2-7-4-8-5-11(13(15)16)18-12(8)14-10(7)6-9/h2-6H,1H3,(H,15,16)
InChIKeyFBYCIVDGRKVDGV-UHFFFAOYSA-N
MW259.29 g/mol
LogP3.16
Rot. Bonds2

About 7-methoxythieno[2,3-b]quinoline-2-carboxylic acid

7-methoxythieno[2,3-b]quinoline-2-carboxylic acid (PubChem CID 778245) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is 7-methoxythieno[2,3-b]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxythieno[2,3-b]quinoline-2-carboxylic acid
PubChem CID778245
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Name7-methoxythieno[2,3-b]quinoline-2-carboxylic acid
SMILESCOc1ccc2cc3cc(C(=O)O)sc3nc2c1
InChIInChI=1S/C13H9NO3S/c1-17-9-3-2-7-4-8-5-11(13(15)16)18-12(8)14-10(7)6-9/h2-6H,1H3,(H,15,16)
InChIKeyFBYCIVDGRKVDGV-UHFFFAOYSA-N
XLogP3.16
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6619386
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CID 12005109
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CID 12005225
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Frequently Asked Questions

What is the IUPAC name of 7-methoxythieno[2,3-b]quinoline-2-carboxylic acid?
The IUPAC name of 7-methoxythieno[2,3-b]quinoline-2-carboxylic acid (CID 778245) is 7-methoxythieno[2,3-b]quinoline-2-carboxylic acid.
What is the SMILES notation for 7-methoxythieno[2,3-b]quinoline-2-carboxylic acid?
The canonical SMILES for 7-methoxythieno[2,3-b]quinoline-2-carboxylic acid is COc1ccc2cc3cc(C(=O)O)sc3nc2c1.
What is the InChIKey of 7-methoxythieno[2,3-b]quinoline-2-carboxylic acid?
The InChIKey is FBYCIVDGRKVDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c1-17-9-3-2-7-4-8-5-11(13(15)16)18-12(8)14-10(7)6-9/h2-6H,1H3,(H,15,16).
What are the key properties of 7-methoxythieno[2,3-b]quinoline-2-carboxylic acid?
7-methoxythieno[2,3-b]quinoline-2-carboxylic acid has a molecular weight of 259.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxythieno[2,3-b]quinoline-2-carboxylic acid is sourced from PubChem (CID 778245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).