methyl 4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate

C13H9NO3S — CID 136576299

IUPACmethyl 4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate
SMILESCOC(=O)c1cc2c(=O)[nH]c3ccccc3c2s1
InChIInChI=1S/C13H9NO3S/c1-17-13(16)10-6-8-11(18-10)7-4-2-3-5-9(7)14-12(8)15/h2-6H,1H3,(H,14,15)
InChIKeyHYCQXNSBAQYRQX-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.53
Rot. Bonds1

About methyl 4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate

methyl 4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate (PubChem CID 136576299) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is methyl 4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate
PubChem CID136576299
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Namemethyl 4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate
SMILESCOC(=O)c1cc2c(=O)[nH]c3ccccc3c2s1
InChIInChI=1S/C13H9NO3S/c1-17-13(16)10-6-8-11(18-10)7-4-2-3-5-9(7)14-12(8)15/h2-6H,1H3,(H,14,15)
InChIKeyHYCQXNSBAQYRQX-UHFFFAOYSA-N
XLogP2.53
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate?
The IUPAC name of methyl 4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate (CID 136576299) is methyl 4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate.
What is the SMILES notation for methyl 4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate?
The canonical SMILES for methyl 4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate is COC(=O)c1cc2c(=O)[nH]c3ccccc3c2s1.
What is the InChIKey of methyl 4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate?
The InChIKey is HYCQXNSBAQYRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c1-17-13(16)10-6-8-11(18-10)7-4-2-3-5-9(7)14-12(8)15/h2-6H,1H3,(H,14,15).
What are the key properties of methyl 4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate?
methyl 4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate has a molecular weight of 259.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate is sourced from PubChem (CID 136576299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).