C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)I.Cl
Name: 6-iodo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)I.Cl

Molecular Processing

Molecular formula
C21H17ClIN3O
Molecular weight
489.74
Exact mass
489.0105
XLogP
5.98
TPSA
47.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.048
Molar refractivity
120

Supplementary Information

InChIKey: UMYGLBZYLVBWOF-UHFFFAOYSA-N
Synonyme
SCHEMBL3324380UMYGLBZYLVBWOF-UHFFFAOYSA-N(4-Benzyloxy-phenyl)-(6-iodoquinazolin-4-yl)-amine hydrochloride(4-Benzyloxyphenyl)-(6-iodoquinazolin-4-yl)-amine Hydrochloride(4-Benzyloxyphenyl)-(6-iodoquinazoline-4-yl)-amine hydrochloride
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