Isopropyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

HCID 178657239

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Basic information

CAS: 331966-74-6
Standard SMILES: CC1=C(C(=O)OC(C)C)C(c2ccc(N(C)C)cc2)C2=C(CC(c3ccccc3)CC2=O)N1
InChIKey: ZYVPCBFLZWXWBQ-UHFFFAOYSA-N
Molecular formula: C28H32N2O3
Average molar mass: 444.6 g/mol
Monoisotopic mass: 444.24129289

Names & identifiers

Preferred name: Isopropyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
IUPAC: propan-2-yl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
English name: isopropyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Molecular formula: C28H32N2O3
Molecular weight: 444.56528

Names & synonyms

isopropyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_763697Oprea1_835618AKOS000655375ST51207760AG-690/11763246ISOPROPYL 4-[4-(DIMETHYLAMINO)PHENYL]-2-METHYL-5-OXO-7-PHENYL-4,6,7,8-TETRAHYDRO-1H-QUINOLINE-3-CARBOXYLATEpropan-2-yl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Database identifiers

CAS: 331966-74-6
PubChem CID: 3116110

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 33
Formal charge: 0
Complexity: 811

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