ethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate

C17H14N2O4S — CID 87255401

IUPACethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(O)c2sccc2n(/N=C/c2ccccc2)c1=O
InChIInChI=1S/C17H14N2O4S/c1-2-23-17(22)13-14(20)15-12(8-9-24-15)19(16(13)21)18-10-11-6-4-3-5-7-11/h3-10,20H,2H2,1H3/b18-10+
InChIKeyNFHDYVMXLGDBLH-VCHYOVAHSA-N
MW342.38 g/mol
LogP2.83
Rot. Bonds4

About ethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate

ethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate (PubChem CID 87255401) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is ethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate
PubChem CID87255401
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Nameethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(O)c2sccc2n(/N=C/c2ccccc2)c1=O
InChIInChI=1S/C17H14N2O4S/c1-2-23-17(22)13-14(20)15-12(8-9-24-15)19(16(13)21)18-10-11-6-4-3-5-7-11/h3-10,20H,2H2,1H3/b18-10+
InChIKeyNFHDYVMXLGDBLH-VCHYOVAHSA-N
XLogP2.83
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate
CID 138512675
1-amino-4-hydroxyquinolin-2-one;methyl 1-[(E)-benzylideneamino]-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 172928174
ethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate
CID 138506103
ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 54711837
6-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-(hexylideneamino)-7-hydroxythieno[3,2-b]pyridin-5-one
CID 142674396
ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate
CID 76852698
ethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate
CID 136741844
1-[(Z)-(3-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 5406754
ethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate
CID 118451796
ethyl 1-[(Z)-benzylideneamino]-3-[2-(4-methylphenyl)-2-oxoethyl]-5-oxo-2H-triazol-3-ium-4-carboxylate
CID 92919162
ethyl 5-hydroxy-3-oxo-2-pentan-2-yl-6-thiophen-2-ylpyridazine-4-carboxylate
CID 54693622
N-(2-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734493

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate (CID 87255401) is ethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate is CCOC(=O)c1c(O)c2sccc2n(/N=C/c2ccccc2)c1=O.
What is the InChIKey of ethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate?
The InChIKey is NFHDYVMXLGDBLH-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-2-23-17(22)13-14(20)15-12(8-9-24-15)19(16(13)21)18-10-11-6-4-3-5-7-11/h3-10,20H,2H2,1H3/b18-10+.
What are the key properties of ethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate?
ethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate has a molecular weight of 342.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 87255401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).