2-[3-(9-chloro-3-methyl-4-oxo-5H-isoxazolo[4,3-c]quinolin-5-yl)-piperidin-1-yl]-N-(3,4,5-trimethoxy-phenyl)-acetamide

HCID 21963714

Notes Reactions

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Basic information

Standard SMILES: COc1cc(NC(=O)CN2CCCC(n3c(=O)c4c(C)onc4c4c(Cl)cccc43)C2)cc(OC)c1OC
InChIKey: LHFIBLJQPBVEOP-UHFFFAOYSA-N
Molecular formula: C27H29ClN4O6
Average molar mass: 541 g/mol

Names & identifiers

Preferred name: 2-[3-(9-chloro-3-methyl-4-oxo-5H-isoxazolo[4,3-c]quinolin-5-yl)-piperidin-1-yl]-N-(3,4,5-trimethoxy-phenyl)-acetamide
IUPAC: 2-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

Names & synonyms

SCHEMBL6067836LHFIBLJQPBVEOP-UHFFFAOYSA-N2-[3-(9-chloro-3-methyl-4-oxo-5H-isoxazolo[4,3-c]quinolin-5-yl)-piperidin-1-yl]-N-(3,4,5-trimethoxy-phenyl)-acetamide

Database identifiers

PubChem CID: 21963714

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 106 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 38
Formal charge: 0
Complexity: 838

Related reactions

2 records

New reaction record

HRID 1546579As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2212197As productuspto-grants-2006_09

Compound notes

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