ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate

C15H11NO4S — CID 121478354

IUPACethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)sc2c1C(=O)c1ncccc1C2=O
InChIInChI=1S/C15H11NO4S/c1-3-20-15(19)9-7(2)21-14-10(9)13(18)11-8(12(14)17)5-4-6-16-11/h4-6H,3H2,1-2H3
InChIKeyKNTCQCSDLITUIQ-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.40
Rot. Bonds2

About ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate

ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate (PubChem CID 121478354) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate
PubChem CID121478354
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC Nameethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)sc2c1C(=O)c1ncccc1C2=O
InChIInChI=1S/C15H11NO4S/c1-3-20-15(19)9-7(2)21-14-10(9)13(18)11-8(12(14)17)5-4-6-16-11/h4-6H,3H2,1-2H3
InChIKeyKNTCQCSDLITUIQ-UHFFFAOYSA-N
XLogP2.40
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate
CID 14895315
ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
CID 44567523
ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate
CID 11280197
ethyl 2-amino-4,9-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-g]quinoline-3-carboxylate
CID 25181429
ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate
CID 25179522
ethyl 2-(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)acetate
CID 19261490
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736
ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate
CID 116526054
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223
ethyl 7-[3-(4-acetylpiperazin-1-yl)propoxy]-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 57327512
ethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate
CID 140916991

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate?
The IUPAC name of ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate (CID 121478354) is ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate is CCOC(=O)c1c(C)sc2c1C(=O)c1ncccc1C2=O.
What is the InChIKey of ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate?
The InChIKey is KNTCQCSDLITUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4S/c1-3-20-15(19)9-7(2)21-14-10(9)13(18)11-8(12(14)17)5-4-6-16-11/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate?
ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate has a molecular weight of 301.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate is sourced from PubChem (CID 121478354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).