3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoic acid hydrochloride

Systemtic Name: 3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoic acid hydrochloride Openeye Name: 3-[[2-(3-pyridyl)quinazolin-4-yl]amino]benzoic acid hydrochloride CAS Name: 3-[[2-(3-pyridinyl)-4-quinazolinyl]amino]benzoic acid hydrochloride IUPAC Name: 3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoic acid hydrochloride Traditional Name: 3-[[2-(3-pyridyl)quinazolin-4-yl]amino]benzoic acid hydrochloride Formula: C20H15ClN4O2 MolecularWeight: 378.8117

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NC4=CC=CC(=C4)C(=O)O.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NC4=CC=CC(=C4)C(=O)O.Cl

InChI

InChI=1S/C20H14N4O2.ClH/c25-20(26)13-5-3-7-15(11-13)22-19-16-8-1-2-9-17(16)23-18(24-19)14-6-4-10-21-12-14;/h1-12H,(H,25,26)(H,22,23,24);1H