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2-(3,4-dimethylphenyl)-2-oxoethyl 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

2-(3,4-dimethylphenyl)-2-oxoethyl 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Formula: C28H25NO3

SMILES: CC1=CC=C(C=C1)C1=NC2=C(C)C=CC=C2C(=C1)C(=O)OCC(=O)C1=CC=C(C)C(C)=C1

IUPAC: 2-(3,4-dimethylphenyl)-2-oxoethyl 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

InChI: InChI=1S/C28H25NO3/c1-17-8-11-21(12-9-17)25-15-24(23-7-5-6-19(3)27(23)29-25)28(31)32-16-26(30)22-13-10-18(2)20(4)14-22/h5-15H,16H2,1-4H3

Composition: C (79.41%), H (5.95%), N (3.31%), O (11.33%)

Molar Mass: 423.512

Atom Count: 57

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 423.183443669
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZOAKUXOXLUYHBS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 126.84
Topological Polar Surface Area 56.26
Polarizability 50.97
Ring Count 4
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H25NO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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