1-(Tert-butoxycarbonylamino-methyl)-6,8-dimethoxy-isoquinoline-4-carboxylic acid

HCID 59341098
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Basic information

Standard SMILES
COc1cc(OC)c2c(CNC(=O)OC(C)(C)C)ncc(C(=O)O)c2c1
InChIKey
KAVKKIGBFJLFOP-UHFFFAOYSA-N
Molecular formula
C18H22N2O6
Average molar mass
362.4 g/mol

Names & identifiers

Preferred name
1-(Tert-butoxycarbonylamino-methyl)-6,8-dimethoxy-isoquinoline-4-carboxylic acid
IUPAC
6,8-dimethoxy-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]isoquinoline-4-carboxylic acid

Names & synonyms

SCHEMBL3363099KAVKKIGBFJLFOP-UHFFFAOYSA-N1-(tert-butoxycarbonylamino-methyl)-6,8-dimethoxy-isoquinoline-4-carboxylic acid

Database identifiers

PubChem CID
59341098

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
26

Related reactions

20 records
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Linked notes

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