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SRI-37240

CAT: 0607-BA6623-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6623-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
883956-47-6
Form
A solid
Molecular Formula
C24H23N3O2
Molecular Weight
385.46
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

3-cyclohexyl-10-methyl-2-phenylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
CAS Number883956-47-6
PubChem CID1856963
IUPAC Name3-cyclohexyl-10-methyl-2-phenylpyrimido[4,5-b]quinoline-4,5-dione
Molecular FormulaC24H23N3O2
Molecular Weight385.5
XLogP4.5
Topological Polar Surface Area53
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity743
SMILES
CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)C4CCCCC4)C5=CC=CC=C5
InChI
InChI=1S/C24H23N3O2/c1-26-19-15-9-8-14-18(19)21(28)20-23(26)25-22(16-10-4-2-5-11-16)27(24(20)29)17-12-6-3-7-13-17/h2,4-5,8-11,14-15,17H,3,6-7,12-13H2,1H3
InChIKey
VMNOIZKDWKJSPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-cyclohexyl-10-methyl-2-phenylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
CAS: 883956-47-6
CID: 1856963
Formula: C24H23N3O2
MW: 385.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.5
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass385.17902698
Monoisotopic Mass385.17902698
Topological Polar Surface Area53 Ų
Heavy Atom Count29
Formal Charge0
Complexity743
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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