Basic information
- CAS
313971-81-2- Standard SMILES
CC1=C(C(=O)OC(C)C)C(c2cccc(Cl)c2Cl)C2=C(CC(c3ccccc3)CC2=O)N1- InChIKey
IZIDYDIQSXVJIV-UHFFFAOYSA-N- Molecular formula
- C26H25Cl2NO3
- Average molar mass
- 470.4 g/mol
- Monoisotopic mass
- 469.121149
Names & identifiers
- Preferred name
- Isopropyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- propan-2-yl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- English name
- isopropyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- Molecular formula
- C26H25Cl2NO3
- Molecular weight
- 470.39
Names & synonyms
isopropyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylatepropan-2-yl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateOprea1_564868Oprea1_827447SCHEMBL3329935STK040388AKOS000655406AKOS021986208propan-2-yl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateST013439AG-690/11766301SR-01000410118
Show more names
3-Quinolinecarboxylic acid, 4-(2,3-dichlorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7-phenyl-, 1-methylethyl ester
SR-01000410118-1313971-81-2methylethyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,6,7,8-pentahydr oquinoline-3-carboxylate
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 812
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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