ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate

C19H19NO4S — CID 138512675

IUPACethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1c(OCc2ccccc2)c(=O)n(CC)c2ccsc12
InChIInChI=1S/C19H19NO4S/c1-3-20-14-10-11-25-17(14)15(19(22)23-4-2)16(18(20)21)24-12-13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3
InChIKeyRNVCLJCVUCYGNL-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.84
Rot. Bonds6

About ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate

ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate (PubChem CID 138512675) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate
PubChem CID138512675
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Nameethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1c(OCc2ccccc2)c(=O)n(CC)c2ccsc12
InChIInChI=1S/C19H19NO4S/c1-3-20-14-10-11-25-17(14)15(19(22)23-4-2)16(18(20)21)24-12-13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3
InChIKeyRNVCLJCVUCYGNL-UHFFFAOYSA-N
XLogP3.84
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate
CID 138506103
ethyl 5-oxo-6-phenylmethoxy-4-[[5-(2-pyridin-4-ylethyl)-1H-pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylate
CID 138506025
ethyl 4-[(4-aminophenyl)methyl]-6-butoxy-5-oxothieno[3,2-b]pyridine-7-carboxylate
CID 164820266
7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one
CID 164950352
2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid
CID 122441506
ethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate
CID 87255401
ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate
CID 90796257
diethyl 3-hydroxy-4-phenylmethoxythiophene-2,5-dicarboxylate
CID 54676787
benzyl 2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetate
CID 22427960
ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 134464571
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
ethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate
CID 59702117

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate?
The IUPAC name of ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate (CID 138512675) is ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate?
The canonical SMILES for ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate is CCOC(=O)c1c(OCc2ccccc2)c(=O)n(CC)c2ccsc12.
What is the InChIKey of ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate?
The InChIKey is RNVCLJCVUCYGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-3-20-14-10-11-25-17(14)15(19(22)23-4-2)16(18(20)21)24-12-13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3.
What are the key properties of ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate?
ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate has a molecular weight of 357.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate is sourced from PubChem (CID 138512675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).