WHI-P258 100mg

CAT: 0628-A18317-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A18317-100Size:100 mg

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

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CAS Number

21561-09-1

Chemical Information

6,7-dimethoxy-N-phenylquinazolin-4-amine

CAS Number	21561-09-1
PubChem CID	3798
IUPAC Name	6,7-dimethoxy-N-phenylquinazolin-4-amine
Molecular Formula	C16H15N3O2
Molecular Weight	281.31
XLogP	3.4
Topological Polar Surface Area	56.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	323

SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC=C3)OC

InChI

InChI=1S/C16H15N3O2/c1-20-14-8-12-13(9-15(14)21-2)17-10-18-16(12)19-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,19)

InChIKey

MJKCGAHOCZLYDG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21561-09-1

CID: 3798

Formula: C16H15N3O2

MW: 281.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.31
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	281.116426730
Monoisotopic Mass	281.116426730
Topological Polar Surface Area	56.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	323
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