N-(4-Chlorobenzyl)-1-[2-(ethylsulfinyl)ethyl]-6-(4-morpholinylmethyl)-4-oxo-1,4-dihydro-3-quinolinecarboxamide

HCID 21192587

Notes Reactions

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Basic information

Standard SMILES: CCS(=O)CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOCC3)ccc21
InChIKey: CTAZZGUUYYSSQQ-UHFFFAOYSA-N
Molecular formula: C26H30ClN3O4S
Average molar mass: 516.1 g/mol

Names & identifiers

Preferred name: N-(4-Chlorobenzyl)-1-[2-(ethylsulfinyl)ethyl]-6-(4-morpholinylmethyl)-4-oxo-1,4-dihydro-3-quinolinecarboxamide
IUPAC: N-[(4-chlorophenyl)methyl]-1-(2-ethylsulfinylethyl)-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide

Names & synonyms

SCHEMBL6696146CTAZZGUUYYSSQQ-UHFFFAOYSA-NN-(4-Chlorobenzyl)-1-[2-(ethylsulfinyl)ethyl]-6-(4-morpholinylmethyl)-4-oxo-1,4-dihydro-3-quinolinecarboxamide

Database identifiers

PubChem CID: 21192587

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 98.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 35
Formal charge: 0
Complexity: 795

Related reactions

2 records

New reaction record

HRID 1068008As productuspto-grants-2001_06

HRID 1206667As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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