4-[5-(5-chloranylpyridin-3-yl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid

Systemtic Name: 4-[5-(5-chloranylpyridin-3-yl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Openeye Name: 4-[5-(5-chloro-3-pyridyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid CAS Name: 4-[5-(5-chloro-3-pyridinyl)-8-methoxy-2-(methylamino)-7-quinazolinyl]benzoic acid IUPAC Name: 4-[5-(5-chloropyridin-3-yl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Traditional Name: 4-[5-(5-chloro-3-pyridyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Formula: C22H17ClN4O3 MolecularWeight: 420.84838

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(C=C3)C(=O)O)C4=CC(=CN=C4)Cl

Isomeric SMILES

CNC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(C=C3)C(=O)O)C4=CC(=CN=C4)Cl

InChI

InChI=1S/C22H17ClN4O3/c1-24-22-26-11-18-16(14-7-15(23)10-25-9-14)8-17(20(30-2)19(18)27-22)12-3-5-13(6-4-12)21(28)29/h3-11H,1-2H3,(H,28,29)(H,24,26,27)