oxolan-2-ylmethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

HCID 2869733

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Basic information

CAS: 5804-29-5
Standard SMILES: COc1ccc(C2C(C(=O)OCC3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1OCc1ccccc1
InChIKey: JOVFDWUVGDJSKV-UHFFFAOYSA-N
Molecular formula: C30H33NO6
Average molar mass: 503.6 g/mol
Monoisotopic mass: 503.23078777

Names & identifiers

Preferred name: oxolan-2-ylmethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
IUPAC: oxolan-2-ylmethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Names & synonyms

5804-29-5AG-205/40775757(OXOLAN-2-YL)METHYL 4-[3-(BENZYLOXY)-4-METHOXYPHENYL]-2-METHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATEtetrahydrofuran-2-ylmethyl 4-[3-(benzyloxy)-4-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateoxolan-2-ylmethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateCDS1_001776ChemDiv1_008176Oprea1_361890DivK1c_002816HMS610D14DTXSID30386708STK046801

Show more names

AKOS002125422AKOS021614381ST052444EU-0042528SR-01000471730SR-01000471730-1oxolan-2-ylmethyl 4-[4-methoxy-3-(phenylmethoxy)phenyl]-2-methyl-5-oxo-1,4,6,7 ,8-pentahydroquinoline-3-carboxylatetetrahydro-2-furanylmethyl 4-[3-(benzyloxy)-4-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

Database identifiers

CAS: 5804-29-5
PubChem CID: 2869733
DTXSID

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 83.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 37
Formal charge: 0
Complexity: 904

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