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N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-{1-[(morpholin-3-ylmethoxy)imino]but-2-yn-1-yl}quinazolin-4-amine hydrochloride

N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-{1-[(morpholin-3-ylmethoxy)imino]but-2-yn-1-yl}quinazolin-4-amine hydrochloride

CAS: 2071195-74-7

Formula: C30H28Cl2FN5O3

SMILES: Cl.CC#CC(=NOCC1COCCN1)C1=CC2=C(NC3=CC(Cl)=C(OCC4=CC(F)=CC=C4)C=C3)N=CN=C2C=C1

IUPAC: N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(1-{[(morpholin-3-yl)methoxy]imino}but-2-yn-1-yl)quinazolin-4-amine hydrochloride

InChI: InChI=1/C30H27ClFN5O3.ClH/c1-2-4-27(37-40-18-24-17-38-12-11-33-24)21-7-9-28-25(14-21)30(35-19-34-28)36-23-8-10-29(26(31)15-23)39-16-20-5-3-6-22(32)13-20;/h3,5-10,13-15,19,24,33H,11-12,16-18H2,1H3,(H,34,35,36);1H

Composition: C (60.41%), H (4.73%), Cl (11.89%), F (3.19%), N (11.74%), O (8.05%)

Molar Mass: 596.48

Atom Count: 69

Heavy Atom Count: 41

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 595.1553233
Formal Charge 0
FSP3 0.23
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
InChIKey NVWJPQQXBPWOOA-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 152.51
Topological Polar Surface Area 89.89
Polarizability 58.8
Ring Count 5
Rotatable Bond Count 10

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Purity LeadTime CAS UnitPrice
98% <10 Days 2071195-74-7 Quote Only