1-(2-(4-((7-chloro-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino)piperidin-1-yl)ethyl)-7-fluoroquinoxalin-2(1H)-one hydrochloride (HCID 67539201)

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Basic information

Standard SMILES: Cl.O=C1CSc2cc(Cl)c(CNC3CCN(CCn4c(=O)cnc5ccc(F)cc54)CC3)nc2N1
InChIKey: QDCCHTPGYRRFSQ-UHFFFAOYSA-N
Molecular formula: C23H25Cl2FN6O2S
Average molar mass: 539.5 g/mol
Monoisotopic mass: 538.1120788

Names & identifiers

Preferred name: 1-(2-(4-((7-chloro-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino)piperidin-1-yl)ethyl)-7-fluoroquinoxalin-2(1H)-one hydrochloride
IUPAC: 7-chloro-6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride

Names & synonyms

SCHEMBL2797847QDCCHTPGYRRFSQ-UHFFFAOYSA-N1-(2-(4-((7-chloro-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino)piperidin-1-yl)ethyl)-7-fluoroquinoxalin-2(1H)-one hydrochloride

Database identifiers

PubChem CID: 67539201

Properties

Computed structural properties

Topological polar surface area: 115 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 35
Formal charge: 0
Complexity: 785

Related reactions

2 records

New reaction record

HRID 39994As productuspto-grants-2013_09

HRID 2193374As productuspto-grants-2012_12

Compound notes

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