ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate

C15H14N2O2S — CID 865150

IUPACethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate
SMILESCCOC(=O)c1sc2nc3c(C)cccc3cc2c1N
InChIInChI=1S/C15H14N2O2S/c1-3-19-15(18)13-11(16)10-7-9-6-4-5-8(2)12(9)17-14(10)20-13/h4-7H,3,16H2,1-2H3
InChIKeyPHMLBKHBXWUKKC-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.52
Rot. Bonds2

About ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate

ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate (PubChem CID 865150) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate
PubChem CID865150
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Nameethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate
SMILESCCOC(=O)c1sc2nc3c(C)cccc3cc2c1N
InChIInChI=1S/C15H14N2O2S/c1-3-19-15(18)13-11(16)10-7-9-6-4-5-8(2)12(9)17-14(10)20-13/h4-7H,3,16H2,1-2H3
InChIKeyPHMLBKHBXWUKKC-UHFFFAOYSA-N
XLogP3.52
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 1374556
3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
CID 865148
3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
CID 1207174
methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate
CID 155547827
ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate
CID 2747019
ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate
CID 171133227
(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1442746
ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 753891
3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide
CID 3231267
3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 1442795
methyl 2-amino-8-methylquinoline-3-carboxylate
CID 135393173
ethyl 3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 4294749

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate (CID 865150) is ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate is CCOC(=O)c1sc2nc3c(C)cccc3cc2c1N.
What is the InChIKey of ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is PHMLBKHBXWUKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-3-19-15(18)13-11(16)10-7-9-6-4-5-8(2)12(9)17-14(10)20-13/h4-7H,3,16H2,1-2H3.
What are the key properties of ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate?
ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 286.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 865150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).