Benzo[1,3]dioxole-5-carboxylic acid (7-chloro-2-oxazol-2-yl-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide

HCID 71217331
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Basic information

Standard SMILES
O=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc2c(c1)OCO2
InChIKey
BIUBQPUFIHTSAU-UHFFFAOYSA-N
Molecular formula
C27H18ClN3O5
Average molar mass
499.9 g/mol

Names & identifiers

Preferred name
Benzo[1,3]dioxole-5-carboxylic acid (7-chloro-2-oxazol-2-yl-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide
IUPAC
N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Names & synonyms

CHEMBL3679428SCHEMBL14617092BIUBQPUFIHTSAU-UHFFFAOYSA-NBDBM100444US8501732, I-8Benzo[1,3]dioxole-5-carboxylic acid (7-chloro-2-oxazol-2-yl-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide

Database identifiers

PubChem CID
71217331
ChEMBL
CHEMBL3679428

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
93.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
36

Related reactions

2 records
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Compound notes

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