6-Chloro-2-[(S)-1-hydroxymethyl-2-(1H-indol-3-yl)-ethylamino]-quinoline-3-carboxylic acid

HCID 45257059
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Basic information

Standard SMILES
O=C(O)c1cc2cc(Cl)ccc2nc1N[C@H](CO)Cc1c[nH]c2ccccc12
InChIKey
YTVCIQCBBGOUSL-HNNXBMFYSA-N
Molecular formula
C21H18ClN3O3
Average molar mass
395.8 g/mol

Names & identifiers

Preferred name
6-Chloro-2-[(S)-1-hydroxymethyl-2-(1H-indol-3-yl)-ethylamino]-quinoline-3-carboxylic acid
IUPAC
6-chloro-2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]quinoline-3-carboxylic acid

Names & synonyms

SCHEMBL2308610YTVCIQCBBGOUSL-HNNXBMFYSA-N6-Chloro-2-[(S)-1-hydroxymethyl-2-(1H-indol-3-yl)-ethylamino]-quinoline-3-carboxylic acid

Database identifiers

PubChem CID
45257059

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
98.2 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
28

Related reactions

1 records
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Linked notes

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