ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate

C15H13NO2S — CID 778240

IUPACethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc2cc3ccc(C)cc3nc2s1
InChIInChI=1S/C15H13NO2S/c1-3-18-15(17)13-8-11-7-10-5-4-9(2)6-12(10)16-14(11)19-13/h4-8H,3H2,1-2H3
InChIKeyXOYXTXUNBHZUBL-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.93
Rot. Bonds2

About ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate

ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate (PubChem CID 778240) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate
PubChem CID778240
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Nameethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc2cc3ccc(C)cc3nc2s1
InChIInChI=1S/C15H13NO2S/c1-3-18-15(17)13-8-11-7-10-5-4-9(2)6-12(10)16-14(11)19-13/h4-8H,3H2,1-2H3
InChIKeyXOYXTXUNBHZUBL-UHFFFAOYSA-N
XLogP3.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methylthieno[2,3-b]quinoline-2-carboxylate
CID 4126375
N-(3-methoxypropyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
CID 22434505
7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3628117
7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3628116
7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3627109
diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
CID 11033401
N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 15998138
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone
CID 22434510
ethyl naphtho[1,2-g][1]benzothiole-2-carboxylate
CID 14770247
ethyl 6-bromo-7-fluoro-1-benzothiophene-2-carboxylate
CID 142574206
ethyl 5,6,7-trimethyl-1-benzothiophene-2-carboxylate
CID 158313823
ethyl 6-methoxy-1-benzothiophene-2-carboxylate
CID 11831419

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate (CID 778240) is ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate is CCOC(=O)c1cc2cc3ccc(C)cc3nc2s1.
What is the InChIKey of ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is XOYXTXUNBHZUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-3-18-15(17)13-8-11-7-10-5-4-9(2)6-12(10)16-14(11)19-13/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate?
ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 778240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).