7-(4-tert-butylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione

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Basic information

CAS: 879047-45-7
Standard SMILES: COc1ccc(C2CC(=O)NC3=C2C(=O)CC(c2ccc(C(C)(C)C)cc2)C3)c(OC)c1OC
InChIKey: GFGQXOOQTYDPFE-UHFFFAOYSA-N
Molecular formula: C28H33NO5
Average molar mass: 463.6 g/mol
Monoisotopic mass: 463.23587315

Names & identifiers

Preferred name: 7-(4-tert-butylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
IUPAC: 7-(4-tert-butylphenyl)-4-(2,3,4-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

Names & synonyms

7-(4-tert-butylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dioneDTXSID801111959STK407658AKOS000768402879047-45-7ST503741807-[4-(1,1-Dimethylethyl)phenyl]-4,6,7,8-tetrahydro-4-(2,3,4-trimethoxyphenyl)-2,5(1H,3H)-quinolinedione7-[4-(tert-butyl)phenyl]-4-(2,3,4-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquino line-2,5-dione

Database identifiers

CAS: 879047-45-7
PubChem CID: 6499285
DTXSID: DTXSID801111959

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 73.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 34
Formal charge: 0
Complexity: 791

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