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AG-1478 hydrochloride

CAT: 0013-GTR19202413-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202413-01Size:10 mg
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Description
AG-1478 hydrochloride
CAS Number
170449-18-0
Field of Research
Cardiovascular Research, Infectious Disease & Virology, Protein Biochemistry, Signal Transduction
Smiles
Cl.COc1cc2ncnc (Nc3cccc (Cl) c3) c2cc1OC
Molecular Formula
C16H15Cl2N3O2
Molecular Weight
352.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride
CAS Number170449-18-0
PubChem CID3035187
IUPAC NameN-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.2
Topological Polar Surface Area56.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity360
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC.Cl
InChI
InChI=1S/C16H14ClN3O2.ClH/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11;/h3-9H,1-2H3,(H,18,19,20);1H
InChIKey
WDJDYIUSDDVWKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride
CAS: 170449-18-0
CID: 3035187
Formula: C16H15Cl2N3O2
MW: 352.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass351.0541321
Monoisotopic Mass351.0541321
Topological Polar Surface Area56.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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