2-(4-Methoxy-3-nitrophenyl)-2-oxoethyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
Basic information
- CAS
351176-75-5- Standard SMILES
COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c3cc(C)ccc3n2)cc1- InChIKey
DSCXREGLNQGXHW-UHFFFAOYSA-N- Molecular formula
- C27H22N2O7
- Average molar mass
- 486.5 g/mol
- Monoisotopic mass
- 486.14270105
Names & identifiers
- Preferred name
- 2-(4-Methoxy-3-nitrophenyl)-2-oxoethyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
- IUPAC
- [2-(4-methoxy-3-nitrophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
- English name
- [2-(4-methoxy-3-nitrophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
- Molecular formula
- C27H22N2O7
- Molecular weight
- 486.47
Names & synonyms
ZINC23517432-(4-methoxy-3-nitrophenyl)-2-oxoethyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylateOprea1_548760MFCD02068187STK270247ZINC02351743AKOS001672508AKOS004000272ZINC000002351743EU-0011733ST51057590SR-01000494395
Show more names
[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate4-Quinolinecarboxylic acid, 2-(4-methoxyphenyl)-6-methyl-, 2-(4-methoxy-3-nitrophenyl)-2-oxoethyl ester
SR-01000494395-1(2(4METHOXY3NITROPHENYL)2OXOETHYL)2(4METHOXYPHENYL)6METHYLQUINOLINE4CARBOXYLATE2(4methoxy3nitrophenyl)2oxoethyl2(4methoxyphenyl)6methylquinoline4carboxylate2-(4-MEO-3-NITROPHENYL)-2-OXOETHYL 2-(4-METHOXY-PH)-6-ME-4-QUINOLINECARBOXYLATECOc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))OC)C2-(4-methoxy-3-nitrophenyl)-2-oxoethyl 2-(4-methoxyphenyl)-6-methylquinoline-4 -carboxylateCC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=C(C=C3)OC)(N+)(=O)(O))C4=CC=C(C=C4)OC
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 779
Physicochemical properties
- Boiling point
- 709.4 · 709.4±60.0 °C(Predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- pka
- 2.24 · 2.24±0.33(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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