ethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate

C16H19NO2S — CID 131984095

IUPACethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc2cc3c(cc2s1)C(C)(C)CCN3
InChIInChI=1S/C16H19NO2S/c1-4-19-15(18)14-8-10-7-12-11(9-13(10)20-14)16(2,3)5-6-17-12/h7-9,17H,4-6H2,1-3H3
InChIKeyPBAAGUVQMRYTOP-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.17
Rot. Bonds2

About ethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate

ethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate (PubChem CID 131984095) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is ethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate
PubChem CID131984095
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Nameethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc2cc3c(cc2s1)C(C)(C)CCN3
InChIInChI=1S/C16H19NO2S/c1-4-19-15(18)14-8-10-7-12-11(9-13(10)20-14)16(2,3)5-6-17-12/h7-9,17H,4-6H2,1-3H3
InChIKeyPBAAGUVQMRYTOP-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate?
The IUPAC name of ethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate (CID 131984095) is ethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate?
The canonical SMILES for ethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate is CCOC(=O)c1cc2cc3c(cc2s1)C(C)(C)CCN3.
What is the InChIKey of ethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate?
The InChIKey is PBAAGUVQMRYTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-4-19-15(18)14-8-10-7-12-11(9-13(10)20-14)16(2,3)5-6-17-12/h7-9,17H,4-6H2,1-3H3.
What are the key properties of ethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate?
ethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate has a molecular weight of 289.40 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate is sourced from PubChem (CID 131984095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).