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HIF1-IN-3

CAT: 0607-BA7813-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7813-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
333314-79-7
Form
A solid
Molecular Formula
C26H24N2O3
Molecular Weight
412.48
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

N-((8-Hydroxyquinolin-7-yl)(4-methoxyphenyl)methyl)-3-phenylpropanamide
CAS Number333314-79-7
PubChem CID2930221
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-phenylpropanamide
Molecular FormulaC26H24N2O3
Molecular Weight412.5
XLogP5.1
Topological Polar Surface Area71.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity557
SMILES
COC1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC(=O)CCC4=CC=CC=C4
InChI
InChI=1S/C26H24N2O3/c1-31-21-13-10-20(11-14-21)24(28-23(29)16-9-18-6-3-2-4-7-18)22-15-12-19-8-5-17-27-25(19)26(22)30/h2-8,10-15,17,24,30H,9,16H2,1H3,(H,28,29)
InChIKey
RFCCQJJHFAITGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((8-Hydroxyquinolin-7-yl)(4-methoxyphenyl)methyl)-3-phenylpropanamide
CAS: 333314-79-7
CID: 2930221
Formula: C26H24N2O3
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass412.17869263
Monoisotopic Mass412.17869263
Topological Polar Surface Area71.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity557
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes