methyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate

C14H11NO3S — CID 10084676

IUPACmethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1
InChIInChI=1S/C14H11NO3S/c1-15-10-6-4-3-5-8(10)12-9(13(15)16)7-11(19-12)14(17)18-2/h3-7H,1-2H3
InChIKeyVHINNAZYVICSDS-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.54
Rot. Bonds1

About methyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate

methyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate (PubChem CID 10084676) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate
PubChem CID10084676
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Namemethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1
InChIInChI=1S/C14H11NO3S/c1-15-10-6-4-3-5-8(10)12-9(13(15)16)7-11(19-12)14(17)18-2/h3-7H,1-2H3
InChIKeyVHINNAZYVICSDS-UHFFFAOYSA-N
XLogP2.54
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate?
The IUPAC name of methyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate (CID 10084676) is methyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate?
The canonical SMILES for methyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate is COC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1.
What is the InChIKey of methyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate?
The InChIKey is VHINNAZYVICSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-15-10-6-4-3-5-8(10)12-9(13(15)16)7-11(19-12)14(17)18-2/h3-7H,1-2H3.
What are the key properties of methyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate?
methyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate has a molecular weight of 273.31 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate is sourced from PubChem (CID 10084676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).