methyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate

C13H9NO3S — CID 54732802

IUPACmethyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2c(cnc3ccccc32)c1O
InChIInChI=1S/C13H9NO3S/c1-17-13(16)12-10(15)8-6-14-9-5-3-2-4-7(9)11(8)18-12/h2-6,15H,1H3
InChIKeyAUBJQRCRVBKCJZ-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.94
Rot. Bonds1

About methyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate

methyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate (PubChem CID 54732802) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is methyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate
PubChem CID54732802
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Namemethyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2c(cnc3ccccc32)c1O
InChIInChI=1S/C13H9NO3S/c1-17-13(16)12-10(15)8-6-14-9-5-3-2-4-7(9)11(8)18-12/h2-6,15H,1H3
InChIKeyAUBJQRCRVBKCJZ-UHFFFAOYSA-N
XLogP2.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate?
The IUPAC name of methyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate (CID 54732802) is methyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate?
The canonical SMILES for methyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate is COC(=O)c1sc2c(cnc3ccccc32)c1O.
What is the InChIKey of methyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate?
The InChIKey is AUBJQRCRVBKCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c1-17-13(16)12-10(15)8-6-14-9-5-3-2-4-7(9)11(8)18-12/h2-6,15H,1H3.
What are the key properties of methyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate?
methyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate has a molecular weight of 259.29 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate is sourced from PubChem (CID 54732802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).