ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate
Basic information
- CAS
49590-04-7- Standard SMILES
CCOC(=O)c1c[nH]c2c(ccc3cccnc32)c1=O- InChIKey
YUPWGIFULUYTQG-UHFFFAOYSA-N- Molecular formula
- C15H12N2O3
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.08479225
Names & identifiers
- Preferred name
- ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate
- IUPAC
- ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate
- English name
- 4-Oxo-1,4-dihydro-[1,10]phenanthroline-3-carboxylic acid ethyl ester
- Molecular formula
- C15H12N2O3
- Molecular weight
- 268.27
Names & synonyms
1,4-DPCA ethyl ester86443-19-8ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylateETHYL 4-OXO-1,4-DIHYDRO-1,10-PHENANTHROLINE-3-CARBOXYLATENSC37116149590-04-74-oxo-1,4-dihydro-[1,10]phenanthroline-3-carboxylic acid ethyl esterNSC302848NSC-3711611,4-Dihydro-4-oxo[1,10]phenanthroline-3-carboxylic acid ethyl ester1,10-Phenanthroline-3-carboxylicacid, 1,4-dihydro-4-oxo-, ethyl esterH9C8SN6Y4X
Show more names
1,4 DPCA ethyl ester,1,4DPCA ethyl ester
orb1693437CHEMBL4777082SCHEMBL17237877DTXSID70964286YUPWGIFULUYTQG-UHFFFAOYSA-NMFCD07357399AKOS040755465NSC-302848
Database identifiers
- CAS
49590-04-7、86443-19-8- PubChem CID
- 327508
- DTXSID
DTXSID70964286- ChEMBL
CHEMBL4777082- UNII
- H9C8SN6Y4X
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 20.83 mg/mL · DMSO : 20.83 mg/mL (77.65 mM)
- form
- Solid
- color
- Off-white to light yellow
Chemistry & industry
Applications
Uses1,4-DPCA ethyl ester is the ethyl ester of 1,4-DPCA and can inhibit factor inhibiting HIF (FIH)[1].
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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