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Cell-cell interaction 1

CAT: 0931-T50083-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T50083-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
918328-92-4
Target
Others
Related Pathways
Others
Purity
0.9772
Bioactivity
12-oxo-N-[1- (propan-2-yl) piperidin-4-yl]-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide available as a molecular structural unit, it is used in the synthesis of various compounds.
Smiles
O=C1C=2C(N=C3N1CCCCC3)=CC(C(NC4CCN(C(C)C)CC4)=O)=CC2
Molecular Formula
C22H30N4O2
Molecular Weight
382.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

12-oxo-N-[1-(propan-2-yl)piperidin-4-yl]-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide
CAS Number918328-92-4
PubChem CID46893809
IUPAC Name12-oxo-N-(1-propan-2-ylpiperidin-4-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
Molecular FormulaC22H30N4O2
Molecular Weight382.5
XLogP2.3
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity624
SMILES
CC(C)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3
InChI
InChI=1S/C22H30N4O2/c1-15(2)25-12-9-17(10-13-25)23-21(27)16-7-8-18-19(14-16)24-20-6-4-3-5-11-26(20)22(18)28/h7-8,14-15,17H,3-6,9-13H2,1-2H3,(H,23,27)
InChIKey
MUAUVYBIRKUZQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 12-oxo-N-[1-(propan-2-yl)piperidin-4-yl]-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide
CAS: 918328-92-4
CID: 46893809
Formula: C22H30N4O2
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass382.23687621
Monoisotopic Mass382.23687621
Topological Polar Surface Area65 Ų
Heavy Atom Count28
Formal Charge0
Complexity624
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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