1'-methyl-4'-(nitromethyl)-4'H-2,3'-biquinoline

1'-methyl-4'-(nitromethyl)-4'H-2,3'-biquinoline

Formula: C20H17N3O2

SMILES: CN1C=C(C(C[N+]([O-])=O)C2=C1C=CC=C2)C1=NC2=CC=CC=C2C=C1

IUPAC: 1'-methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline

InChI: InChI=1/C20H17N3O2/c1-22-12-17(19-11-10-14-6-2-4-8-18(14)21-19)16(13-23(24)25)15-7-3-5-9-20(15)22/h2-12,16H,13H2,1H3

Composition: C (72.49%), H (5.17%), N (12.68%), O (9.66%)

Molar Mass: 331.375

Atom Count: 42

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	331.132076799
Formal Charge	0
FSP3	0.15
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	OBLCUUGXPIDEBD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.14
Topological Polar Surface Area	59.27
Polarizability	37.83
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H17N3O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00