PD 174265

CAT: 0127-BUP11521-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11521-02Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

216163-53-0

Synonyms

PD174265, N-{4-[ (3-Bromophenyl) amino]quinazolin-6-Yl}propanamide, PD-174265

Purity

=98%

Smiles

CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

Chemical Information

PD 174265

CAS Number	216163-53-0
PubChem CID	4709
IUPAC Name	N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide
Molecular Formula	C17H15BrN4O
Molecular Weight	371.2
XLogP	3.8
Topological Polar Surface Area	66.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	408

SMILES

CCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H15BrN4O/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/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)

InChIKey

WUPUZEMRHDROEO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 216163-53-0

CID: 4709

Formula: C17H15BrN4O

MW: 371.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.2
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	370.04292
Monoisotopic Mass	370.04292
Topological Polar Surface Area	66.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	408
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS5778029	PD 174265