AG-690/10383018

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Basic information

CAS: 5481-03-8
Standard SMILES: CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccc(Cl)c1
InChIKey: NVKKDZYCXKEHGI-UHFFFAOYSA-N
Molecular formula: C21H24ClNO4
Average molar mass: 389.9 g/mol
Monoisotopic mass: 389.1393859

Names & identifiers

Preferred name: AG-690/10383018
IUPAC: 2-ethoxyethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Names & synonyms

DTXSID40385924AG-690/103830185481-03-8RefChem:317364DTXCID503369472-ethoxyethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate2-(ethyloxy)ethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateCBMicro_021968CCG-9172STK059568AKOS000572994AKOS021984971

Show more names

2-ethoxyethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateBIM-0021886.P001EU-0001953SR-01000403668SR-01000403668-1313967-62-3

Database identifiers

CAS: 5481-03-8
PubChem CID: 2848618
DTXSID: DTXSID40385924

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 64.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 655

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Compound notes

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