4-((4,4-Dimethylcyclohexyl)oxy)-8-nitroquinazoline

HCID 86692231
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Basic information

Standard SMILES
CC1(C)CCC(Oc2ncnc3c([N+](=O)[O-])cccc23)CC1
InChIKey
AVIXUHCCCNKVCJ-UHFFFAOYSA-N
Molecular formula
C16H19N3O3
Average molar mass
301.34 g/mol
Monoisotopic mass
301.14264148

Names & identifiers

Preferred name
4-((4,4-Dimethylcyclohexyl)oxy)-8-nitroquinazoline
IUPAC
4-(4,4-dimethylcyclohexyl)oxy-8-nitroquinazoline

Names & synonyms

SCHEMBL15169767AVIXUHCCCNKVCJ-UHFFFAOYSA-N4-((4,4-dimethylcyclohexyl)oxy)-8-nitroquinazoline

Database identifiers

PubChem CID
86692231

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
80.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
22

Related reactions

1 records
New reaction record

Linked notes

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