Methyl 2-[3-({[1-(tert-butoxycarbonyl)-4-methylpiperidin-4-yl]carbonyl}amino)benzyl]-1-oxo-1,2-dihydroisoquinoline-7-carboxylate

HCID 67282976
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Basic information

Standard SMILES
COC(=O)c1ccc2ccn(Cc3cccc(NC(=O)C4(C)CCN(C(=O)OC(C)(C)C)CC4)c3)c(=O)c2c1
InChIKey
LOXQWRHNGXUKLW-UHFFFAOYSA-N
Molecular formula
C30H35N3O6
Average molar mass
533.6 g/mol

Names & identifiers

Preferred name
Methyl 2-[3-({[1-(tert-butoxycarbonyl)-4-methylpiperidin-4-yl]carbonyl}amino)benzyl]-1-oxo-1,2-dihydroisoquinoline-7-carboxylate
IUPAC
methyl 2-[[3-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]phenyl]methyl]-1-oxoisoquinoline-7-carboxylate

Names & synonyms

SCHEMBL2118785LOXQWRHNGXUKLW-UHFFFAOYSA-Nmethyl 2-[3-({[1-(tert-butoxycarbonyl)-4-methylpiperidin-4-yl]carbonyl}amino)benzyl]-1-oxo-1,2-dihydroisoquinoline-7-carboxylate

Database identifiers

PubChem CID
67282976

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
105 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
39

Related reactions

1 records
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Compound notes

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