Phosphonic acid, (6,7-dimethoxy-2-methyl-3-quinolinyl)-, diethyl ester

HCID 11348357

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Basic information

CAS: 340146-56-7
Standard SMILES: CCOP(=O)(OCC)c1cc2cc(OC)c(OC)cc2nc1C
InChIKey: XSFWDDZSSBKYEF-UHFFFAOYSA-N
Molecular formula: C16H22NO5P
Average molar mass: 339.32 g/mol
Monoisotopic mass: 339.1235598

Names & identifiers

Preferred name: Phosphonic acid, (6,7-dimethoxy-2-methyl-3-quinolinyl)-, diethyl ester
IUPAC: 3-diethoxyphosphoryl-6,7-dimethoxy-2-methylquinoline

Names & synonyms

340146-56-7DTXSID00463171Phosphonic acid, (6,7-dimethoxy-2-methyl-3-quinolinyl)-, diethyl esterRefChem:370507DTXCID60413990diethyl (6,7-dimethoxy-2-methylquinolin-3-yl)phosphonate

Database identifiers

CAS: 340146-56-7
PubChem CID: 11348357
DTXSID: DTXSID00463171
Nikkaji: J1.485.369C

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 66.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 23
Formal charge: 0
Complexity: 411

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