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cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

HCID 178657646
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Basic information

CAS
493034-15-4
Standard SMILES
CCOc1cc(C2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(c2ccc(OC)c(OC)c2)C3)cc(Br)c1O
InChIKey
LVHHEKUPNJQJQM-UHFFFAOYSA-N
Molecular formula
C32H36BrNO7
Average molar mass
626.5 g/mol
Monoisotopic mass
625.16752

Names & identifiers

Preferred name
cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
IUPAC
cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
English name
cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Molecular formula
C32H36BrNO7
Molecular weight
626.53474

Names & synonyms

cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_205623Oprea1_746419AKOS000509042AKOS024305465cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateST50260538AG-690/40751817cyclopentyl 7-(3,4-dimethoxyphenyl)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-met hyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate

Database identifiers

CAS
493034-15-4
PubChem CID
3137974

Properties

Computed structural propertiesFilling in

XLogP
5.7
Topological polar surface area
103 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
41
Formal charge
0
Complexity
1,040

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