4-[5-(5-chloranylpyridin-3-yl)-8-methoxy-2-(methylamino)quinazolin-6-yl]benzoic acid

Systemtic Name: 4-[5-(5-chloranylpyridin-3-yl)-8-methoxy-2-(methylamino)quinazolin-6-yl]benzoic acid Openeye Name: 4-[5-(5-chloro-3-pyridyl)-8-methoxy-2-(methylamino)quinazolin-6-yl]benzoic acid CAS Name: 4-[5-(5-chloro-3-pyridinyl)-8-methoxy-2-(methylamino)-6-quinazolinyl]benzoic acid IUPAC Name: 4-[5-(5-chloropyridin-3-yl)-8-methoxy-2-(methylamino)quinazolin-6-yl]benzoic acid Traditional Name: 4-[5-(5-chloro-3-pyridyl)-8-methoxy-2-(methylamino)quinazolin-6-yl]benzoic acid Formula: C22H17ClN4O3 MolecularWeight: 420.84838

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C=C(C(=C2C=N1)C3=CC(=CN=C3)Cl)C4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

CNC1=NC2=C(C=C(C(=C2C=N1)C3=CC(=CN=C3)Cl)C4=CC=C(C=C4)C(=O)O)OC

InChI

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