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Compound 401

CAT: 0607-B7337-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-B7337-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DNA-PK and mTOR inhibitor
CAS Number
168425-64-7
Product Name Alternative
2-morpholino-4H-pyrimido[2,1-a]isoquinolin-4-one
Field of Research
DNA Damage DNA Repair DNA-PK
Purity
0.98
Form
Beige solid
Solubility
Soluble in DMSO
Smiles
O=C1N2C(C3=CC=CC=C3C=C2)=NC(N4CCOCC4)=C1
Molecular Formula
C16H15N3O2
Molecular Weight
281.31
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

2-Morpholin-4-ylpyrimido(2,1-A)isoquinolin-4-one
CAS Number168425-64-7
PubChem CID10039361
IUPAC Name2-morpholin-4-ylpyrimido[2,1-a]isoquinolin-4-one
Molecular FormulaC16H15N3O2
Molecular Weight281.31
XLogP1.2
Topological Polar Surface Area45.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity532
SMILES
C1COCCN1C2=CC(=O)N3C=CC4=CC=CC=C4C3=N2
InChI
InChI=1S/C16H15N3O2/c20-15-11-14(18-7-9-21-10-8-18)17-16-13-4-2-1-3-12(13)5-6-19(15)16/h1-6,11H,7-10H2
InChIKey
BVRDQVRQVGRNHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Morpholin-4-ylpyrimido(2,1-A)isoquinolin-4-one
CAS: 168425-64-7
CID: 10039361
Formula: C16H15N3O2
MW: 281.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.31
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass281.116426730
Monoisotopic Mass281.116426730
Topological Polar Surface Area45.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity532
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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