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4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-ol

4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-ol

CAS: 612501-52-7

Formula: C15H11ClFN3O2

SMILES: COC1=CC2=NC=NC(NC3=CC=CC(Cl)=C3F)=C2C=C1O

IUPAC: 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-ol

InChI: InChI=1S/C15H11ClFN3O2/c1-22-13-6-11-8(5-12(13)21)15(19-7-18-11)20-10-4-2-3-9(16)14(10)17/h2-7,21H,1H3,(H,18,19,20)

Composition: C (56.35%), H (3.47%), Cl (11.09%), F (5.94%), N (13.14%), O (10.01%)

Molar Mass: 319.72

Atom Count: 33

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 319.0523825
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey VZBZUFGPXJGXNJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.07
Topological Polar Surface Area 67.27
Polarizability 31.48
Ring Count 3
Rotatable Bond Count 3

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