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PD 168393

CAT: 0926-UHA42315-02Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-UHA42315-02Size:0.5 g
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CAS Number
194423-15-9
MDL Number
MFCD02179207
Smiles
C=CC (=O) NC1=CC2=C (C=C1) N=CN=C2NC3=CC (=CC=C3) Br
Molecular Formula
C17H13BrN4O
Molecular Weight
369.22 g/mol
Controlled
No

Chemical Information

Pd 168393

PD 168393 is a member of the class of quinazolines carrying bromoanilino and acrylamido substituents at positions 4 and 6 respectively. It has a role as an epidermal growth factor receptor antagonist. It is a secondary carboxamide, a member of acrylamides, a member of bromobenzenes, a member of quinazolines and a substituted aniline.

CAS Number194423-15-9
PubChem CID4708
IUPAC NameN-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-enamide
Molecular FormulaC17H13BrN4O
Molecular Weight369.2
XLogP3.9
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity433
SMILES
C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br
InChI
InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
InChIKey
HTUBKQUPEREOGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pd 168393
CAS: 194423-15-9
CID: 4708
Formula: C17H13BrN4O
MW: 369.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.2
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass368.02727
Monoisotopic Mass368.02727
Topological Polar Surface Area66.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity433
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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