4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl acetate

4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl acetate

CAS: 788136-89-0

Formula: C17H13ClFN3O3

SMILES: COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OC(C)=O

IUPAC: 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl acetate

InChI: InChI=1S/C17H13ClFN3O3/c1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10/h3-8H,1-2H3,(H,20,21,22)

Composition: C (56.44%), H (3.62%), Cl (9.80%), F (5.25%), N (11.62%), O (13.27%)

Molar Mass: 361.76

Atom Count: 38

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	361.0629472
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ANGPUOTYQQFHKN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.22
Topological Polar Surface Area	73.34
Polarizability	35.32
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	788136-89-0		$43.47$43.47