2-amino-1-[4-(6-nitro-4-phenylquinazolin-2-yl)piperazin-1-yl]propan-1-one

2-amino-1-[4-(6-nitro-4-phenylquinazolin-2-yl)piperazin-1-yl]propan-1-one

Formula: C21H22N6O3

SMILES: CC(N)C(=O)N1CCN(CC1)C1=NC2=CC=C(C=C2C(=N1)C1=CC=CC=C1)[N+]([O-])=O

IUPAC: 2-amino-1-[4-(6-nitro-4-phenylquinazolin-2-yl)piperazin-1-yl]propan-1-one

InChI: InChI=1/C21H22N6O3/c1-14(22)20(28)25-9-11-26(12-10-25)21-23-18-8-7-16(27(29)30)13-17(18)19(24-21)15-5-3-2-4-6-15/h2-8,13-14H,9-12,22H2,1H3

Composition: C (62.06%), H (5.46%), N (20.68%), O (11.81%)

Molar Mass: 406.446

Atom Count: 52

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	406.175338592
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	PJLDDCPFYCBMJO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	112.43
Topological Polar Surface Area	118.49
Polarizability	44.89
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22N6O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00