2,4-Dimethoxy-6-methylquinoline

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Basic information

CAS: 139719-25-8
Standard SMILES: COc1cc(OC)c2cc(C)ccc2n1
InChIKey: AAXCIZLDPIBUSX-UHFFFAOYSA-N
Molecular formula: C12H13NO2
Average molar mass: 203.24 g/mol
Monoisotopic mass: 203.09462866

Names & identifiers

Preferred name: 2,4-Dimethoxy-6-methylquinoline
IUPAC: 2,4-dimethoxy-6-methylquinoline

Names & synonyms

2,4-dimethoxy-6-methylquinolinequinoline, 2,4-dimethoxy-6-methyl-139719-25-8RefChem:82476InChI=1/C12H15NO2/c1-8-4-5-10-9(6-8)11(14-2)7-12(13-10)15-3/h4-8,12H,1-3HSCHEMBL7699246DTXSID101304480

Database identifiers

CAS: 139719-25-8
PubChem CID: 5326166
DTXSID: DTXSID101304480

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 31.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 210

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Compound notes

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