7-bromo-2-chloro-6,7-dihydroquinazolin-8(5H)-one

HCID 59558366

Notes Reactions

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Basic information

CAS: 1105664-60-5
Standard SMILES: O=C1c2nc(Cl)ncc2CCC1Br
InChIKey: NWXWENVZQFRLAI-UHFFFAOYSA-N
Molecular formula: C8H6BrClN2O
Average molar mass: 261.5 g/mol
Monoisotopic mass: 259.9352

Names & identifiers

Preferred name: 7-bromo-2-chloro-6,7-dihydroquinazolin-8(5H)-one
IUPAC: 7-bromo-2-chloro-6,7-dihydro-5H-quinazolin-8-one

Names & synonyms

7-bromo-2-chloro-6,7-dihydroquinazolin-8(5H)-one1105664-60-5SCHEMBL428589NWXWENVZQFRLAI-UHFFFAOYSA-NDTXSID401239171DB-0911767-bromo-2-chloro-6,7-dihydro-5H-quinazolin-8-one7-Bromo-2-chloro-6,7-dihydro-8(5H)-quinazolinone

Database identifiers

CAS: 1105664-60-5
PubChem CID: 59558366
DTXSID: DTXSID401239171

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 42.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 226

Related reactions

2 records

New reaction record

HRID 1175164As productuspto-grants-2010_11

HRID 1226717As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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