2-(4-methoxy-3-nitrophenyl)-2-oxoethyl 2,6-dimethylquinoline-4-carboxylate

2-(4-methoxy-3-nitrophenyl)-2-oxoethyl 2,6-dimethylquinoline-4-carboxylate

Formula: C21H18N2O6

SMILES: COC1=CC=C(C=C1[N+]([O-])=O)C(=O)COC(=O)C1=CC(C)=NC2=CC=C(C)C=C12

IUPAC: 2-(4-methoxy-3-nitrophenyl)-2-oxoethyl 2,6-dimethylquinoline-4-carboxylate

InChI: InChI=1S/C21H18N2O6/c1-12-4-6-17-15(8-12)16(9-13(2)22-17)21(25)29-11-19(24)14-5-7-20(28-3)18(10-14)23(26)27/h4-10H,11H2,1-3H3

Composition: C (63.96%), H (4.60%), N (7.10%), O (24.34%)

Molar Mass: 394.383

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	394.116486308
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	DJOGKDSKXBUGQY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.32
Topological Polar Surface Area	108.63
Polarizability	40.77
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H18N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00