4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl (2R)-2,4-dimethylpiperazine-1-carboxylate hydrochloride

4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl (2R)-2,4-dimethylpiperazine-1-carboxylate hydrochloride

CAS: 1626387-81-2

Formula: C22H24Cl2FN5O3

SMILES: Cl.COC1=CC2=NC=NC(NC3=C(F)C(Cl)=CC=C3)=C2C=C1OC(=O)N1CCN(C)C[C@H]1C

IUPAC: 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl (2R)-2,4-dimethylpiperazine-1-carboxylate hydrochloride

InChI: InChI=1S/C22H23ClFN5O3.ClH/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24;/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27);1H/t13-;/m1./s1

Composition: C (53.24%), H (4.87%), Cl (14.28%), F (3.83%), N (14.11%), O (9.67%)

Molar Mass: 496.36

Atom Count: 57

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	495.1240232
Formal Charge	0
FSP3	0.32
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	IFVBAZHARMVMRV-BTQNPOSSSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.16
Topological Polar Surface Area	79.82
Polarizability	46.45
Ring Count	4
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	1626387-81-2		$38.22-$675.73$38.22$51.98$75.68$129.18$228.56$375.32$675.73