Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 2-((1-(2-(4-nitrophenyl)ethyl)-4-piperidinyl)oxy)-2-oxoethyl ester
Basic information
- CAS
86518-60-7- Standard SMILES
O=C(COC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc12)OC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1- InChIKey
JIUVZPFRBKHRKD-UHFFFAOYSA-N- Molecular formula
- C31H29ClN4O6
- Average molar mass
- 589 g/mol
- Monoisotopic mass
- 588.1775624
Names & identifiers
- Preferred name
- Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 2-((1-(2-(4-nitrophenyl)ethyl)-4-piperidinyl)oxy)-2-oxoethyl ester
- IUPAC
- [2-[1-[2-(4-nitrophenyl)ethyl]piperidin-4-yl]oxy-2-oxoethyl] 2-[(7-chloroquinolin-4-yl)amino]benzoate
Names & synonyms
Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 2-((1-(2-(4-nitrophenyl)ethyl)-4-piperidinyl)oxy)-2-oxoethyl esterN-(p-Nitrophenethyl-4-piperidyl) N-(7-chloro-4-quinolyl)anthraniloyloxyacetate86518-60-7DTXSID50235623RefChem:326677DTXCID80158114SCHEMBL109691642-({1-[2-(4-Nitrophenyl)ethyl]piperidin-4-yl}oxy)-2-oxoethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate
Database identifiers
- CAS
86518-60-7- PubChem CID
- 3070495
- DTXSID
DTXSID50235623
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 904
Related reactions
1 records
Compound notes
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