2-(4-bromophenyl)-2-oxoethyl 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

2-(4-bromophenyl)-2-oxoethyl 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Formula: C27H22BrNO3

SMILES: CC1=CC=C(C=C1)C1=NC2=CC=C(C)C=C2C(C(=O)OCC(=O)C2=CC=C(Br)C=C2)=C1C

IUPAC: 2-(4-bromophenyl)-2-oxoethyl 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

InChI: InChI=1S/C27H22BrNO3/c1-16-4-7-20(8-5-16)26-18(3)25(22-14-17(2)6-13-23(22)29-26)27(31)32-15-24(30)19-9-11-21(28)12-10-19/h4-14H,15H2,1-3H3

Composition: C (66.40%), H (4.54%), Br (16.36%), N (2.87%), O (9.83%)

Molar Mass: 488.381

Atom Count: 54

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	487.078307
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VLGNXLSKLRMJGA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	129.42
Topological Polar Surface Area	56.26
Polarizability	51.73
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H22BrNO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00