1-oxo-1-phenylpropan-2-yl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate

1-oxo-1-phenylpropan-2-yl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate

Formula: C26H20BrNO3

SMILES: CC(OC(=O)C1=C2C=C(C)C=CC2=NC(=C1)C1=CC=C(Br)C=C1)C(=O)C1=CC=CC=C1

IUPAC: 1-oxo-1-phenylpropan-2-yl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate

InChI: InChI=1/C26H20BrNO3/c1-16-8-13-23-21(14-16)22(15-24(28-23)18-9-11-20(27)12-10-18)26(30)31-17(2)25(29)19-6-4-3-5-7-19/h3-15,17H,1-2H3

Composition: C (65.83%), H (4.25%), Br (16.84%), N (2.95%), O (10.12%)

Molar Mass: 474.354

Atom Count: 51

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	473.062657
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JPIYQSNKJNZAQK-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	123.83
Topological Polar Surface Area	56.26
Polarizability	50.05
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H20BrNO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00