Chemical Components in the PDB

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2ZI : Summary

Code

2ZI

One-letter code

X

Molecule name

8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one

Formula

C16 H11 F3 N2 O

Formal charge

0

Molecular weight

304.267 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)F
SMILES OpenEye OEToolkits 1.7.6 Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F
Canonical SMILES CACTVS 3.385 Cc1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)F
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F

IUPAC InChI

InChI=1S/C16H11F3N2O/c1-9-3-2-4-12-13(9)20-14(21-15(12)22)10-5-7-11(8-6-10)16(17,18)19/h2-8H,1H3,(H,20,21,22)

IUPAC InChI key

GDPZGQDEZJRADO-UHFFFAOYSA-N
2ZI

wwPDB Information

Atom count

33 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-03-19

Last modified at

2016-04-08

Status

Released

Obsoleted

Not Assigned