Cyclohexyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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Basic information
- CAS
299945-66-7- Standard SMILES
COc1cccc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1- InChIKey
IWNFCHFHAHBNAY-UHFFFAOYSA-N- Molecular formula
- C26H33NO4
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.24095853
Names & identifiers
- Preferred name
- Cyclohexyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- cyclohexyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
- English name
- cyclohexyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- Molecular formula
- C26H33NO4
- Molecular weight
- 423.54
Names & synonyms
cyclohexyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylatecyclohexyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylateOprea1_442487Oprea1_537894STK085518AKOS000572026AKOS021984849CCG-104341ST013187EU-0068520UNM000000512201AG-690/10375029
Show more names
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-, cyclohexyl ester
SR-01000403537SR-01000403537-1299945-66-7cyclohexyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylatecyclohexyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquino line-3-carboxylate
Database identifiers
- CAS
299945-66-7- PubChem CID
- 2847096
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 787
Physicochemical properties
- Boiling point
- 565.8 · 565.8±50.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 1.18 · 1.18±0.70(Predicted)
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Compound notes
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