2-(2,5-dimethylphenyl)-2-oxoethyl 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate

2-(2,5-dimethylphenyl)-2-oxoethyl 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate

Formula: C27H22BrNO3

SMILES: CC1=CC=C(C)C(=C1)C(=O)COC(=O)C1=CC(=NC2=C(C)C=CC=C12)C1=CC=C(Br)C=C1

IUPAC: 2-(2,5-dimethylphenyl)-2-oxoethyl 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate

InChI: InChI=1S/C27H22BrNO3/c1-16-7-8-17(2)22(13-16)25(30)15-32-27(31)23-14-24(19-9-11-20(28)12-10-19)29-26-18(3)5-4-6-21(23)26/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	CLANMULWJCZBLM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	129.42
Topological Polar Surface Area	56.26
Polarizability	51.74
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