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1-oxo-1-phenylpropan-2-yl 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

1-oxo-1-phenylpropan-2-yl 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Formula: C27H23NO3

SMILES: CC(OC(=O)C1=CC(=NC2=C(C)C=CC=C12)C1=CC=C(C)C=C1)C(=O)C1=CC=CC=C1

IUPAC: 1-oxo-1-phenylpropan-2-yl 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

InChI: InChI=1/C27H23NO3/c1-17-12-14-20(15-13-17)24-16-23(22-11-7-8-18(2)25(22)28-24)27(30)31-19(3)26(29)21-9-5-4-6-10-21/h4-16,19H,1-3H3

Composition: C (79.20%), H (5.66%), N (3.42%), O (11.72%)

Molar Mass: 409.485

Atom Count: 54

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 409.167793605
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XOOZNBYHQVKIDT-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 121.25
Topological Polar Surface Area 56.26
Polarizability 49.28
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 C27H23NO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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