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

C15H13NO3S — CID 3235913

IUPACethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1
InChIInChI=1S/C15H13NO3S/c1-3-19-15(18)12-8-10-13(20-12)9-6-4-5-7-11(9)16(2)14(10)17/h4-8H,3H2,1-2H3
InChIKeyDTPGAKREZYJWDO-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.93
Rot. Bonds2

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

ethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate (PubChem CID 3235913) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate
PubChem CID3235913
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Nameethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1
InChIInChI=1S/C15H13NO3S/c1-3-19-15(18)12-8-10-13(20-12)9-6-4-5-7-11(9)16(2)14(10)17/h4-8H,3H2,1-2H3
InChIKeyDTPGAKREZYJWDO-UHFFFAOYSA-N
XLogP2.93
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(N-methylanilino)-2-oxoethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 2668983
Methyl 5-[3-(dimethylamino)propyl]-6-oxo-[1]benzothiolo[2,3-c]quinoline-9-carboxylate
CID 10250037
2-(Diethylamino)ethyl 4-{5-ethyl-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-amido}benzoate
CID 16008730
Methyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate
CID 10084676
methyl 4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxylate
CID 136576299
methyl 5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxylate
CID 137653385
4-oxo-4H,5H-thieno(3,2-c)quinoline-2-carboxylic acid
CID 3482993
ethyl 1-{5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carbonyl}piperidine-3-carboxylate
CID 16020221
Methyl 4-methyl-5-oxothieno[3,2-c]isoquinoline-2-carboxylate
CID 137644480
ethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate
CID 175506679
Methyl 1-[5-(piperidin-1-ylmethyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate
CID 156018721
ethyl 5-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate
CID 177655209

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate?
The IUPAC name of ethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate (CID 3235913) is ethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate is CCOC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1.
What is the InChIKey of ethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate?
The InChIKey is DTPGAKREZYJWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-3-19-15(18)12-8-10-13(20-12)9-6-4-5-7-11(9)16(2)14(10)17/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate?
ethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylate is sourced from PubChem (CID 3235913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).