2-[[2-Chloro-4-[1-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-quinolin-3-ylprop-2-enoic acid

HCID 70152012
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Basic information

Standard SMILES
O=C(O)C(=Cc1cnc2ccccc2c1)NC(=O)c1ccc(C(O)CCc2cccc(O)c2)cc1Cl
InChIKey
SCDABPSIOCUVBR-UHFFFAOYSA-N
Molecular formula
C28H23ClN2O5
Average molar mass
502.9 g/mol
Monoisotopic mass
502.1295495

Names & identifiers

Preferred name
2-[[2-Chloro-4-[1-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-quinolin-3-ylprop-2-enoic acid
IUPAC
2-[[2-chloro-4-[1-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-quinolin-3-ylprop-2-enoic acid

Names & synonyms

SCHEMBL7644502

Database identifiers

PubChem CID
70152012

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
120 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
36

Related reactions

1 records
New reaction record

Linked notes

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