Methyl 4-{[4-chloro-3-(trifluoromethyl)benzyl]amino}-6-nitroquinazoline-8-carboxylate

HCID 66763565
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Basic information

Standard SMILES
COC(=O)c1cc([N+](=O)[O-])cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12
InChIKey
QWYYFCOEHVYBKT-UHFFFAOYSA-N
Molecular formula
C18H12ClF3N4O4
Average molar mass
440.8 g/mol

Names & identifiers

Preferred name
Methyl 4-{[4-chloro-3-(trifluoromethyl)benzyl]amino}-6-nitroquinazoline-8-carboxylate
IUPAC
methyl 4-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]-6-nitroquinazoline-8-carboxylate

Names & synonyms

Methyl 4-{[4-chloro-3-(trifluoromethyl)benzyl]amino}-6-nitroquinazoline-8-carboxylateSCHEMBL666443

Database identifiers

PubChem CID
66763565

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
110 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
30

Related reactions

4 records
New reaction record

Compound notes

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