benzyl N-{6-oxo-6-[4-(quinolin-2-yl)piperazin-1-yl]hexyl}carbamate

benzyl N-{6-oxo-6-[4-(quinolin-2-yl)piperazin-1-yl]hexyl}carbamate

Formula: C27H32N4O3

SMILES: O=C(NCCCCCC(=O)N1CCN(CC1)C1=NC2=CC=CC=C2C=C1)OCC1=CC=CC=C1

IUPAC: benzyl N-{6-oxo-6-[4-(quinolin-2-yl)piperazin-1-yl]hexyl}carbamate

InChI: InChI=1S/C27H32N4O3/c32-26(13-5-2-8-16-28-27(33)34-21-22-9-3-1-4-10-22)31-19-17-30(18-20-31)25-15-14-23-11-6-7-12-24(23)29-25/h1,3-4,6-7,9-12,14-15H,2,5,8,13,16-21H2,(H,28,33)

Composition: C (70.41%), H (7.00%), N (12.16%), O (10.42%)

Molar Mass: 460.578

Atom Count: 66

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	460.247440906
Formal Charge	0
FSP3	0.37
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QANNZLFHUPFWMC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	132.74
Topological Polar Surface Area	74.77
Polarizability	52.15
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H32N4O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00