CC(C1=NC2=C(N1)C=C(C=C2)Cl)NC3=NC=NC4=CC(=C(C=C43)Cl)C(=O)O
Name: 6-chloro-4-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]quinazoline-7-carboxylic acid
SMILES: CC(C1=NC2=C(N1)C=C(C=C2)Cl)NC3=NC=NC4=CC(=C(C=C43)Cl)C(=O)O

Molecular Processing

Molecular formula
C18H13Cl2N5O2
Molecular weight
402.24
Exact mass
401.0446
XLogP
4.68
TPSA
103.79
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
104.65

Supplementary Information

InChIKey: VZQWOZQUPVBAOL-UHFFFAOYSA-N
Synonyme
6-chloro-4-(1-(5-chloro-1H-benzimidazol-2-yl)-ethylamino]-7-hydroxycarbonyl-quinazoline6-chloro-4-[1-(5-chloro-1H-benzimidazol-2-yl)-ethylamino]-7-hydroxycarbonyl-quinazolineSCHEMBL4155062SCHEMBL6225117VZQWOZQUPVBAOL-UHFFFAOYSA-N6-chloro-4-[1-(5-chloro-1H- benzimidazol-2-yl)-ethylamino]-7-hydroxycarbonyl-quinazoline
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