Methyl 4-butyl-8-iodo-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

HCID 21086204
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Basic information

Standard SMILES
CCCCN1C(=O)COc2c(I)cc(C(=O)OC)cc21
InChIKey
QQYDLFLKLZIHEG-UHFFFAOYSA-N
Molecular formula
C14H16INO4
Average molar mass
389.18 g/mol

Names & identifiers

Preferred name
Methyl 4-butyl-8-iodo-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
IUPAC
methyl 4-butyl-8-iodo-3-oxo-1,4-benzoxazine-6-carboxylate

Names & synonyms

SCHEMBL3356312QQYDLFLKLZIHEG-UHFFFAOYSA-NMethyl 4-butyl-8-iodo-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

Database identifiers

PubChem CID
21086204

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
20

Related reactions

6 records
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Linked notes

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