5-amino-5-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]hexane-2-thione;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;4-hydroxy-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentan-2-one;2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide;6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[(3S)-morpholin-3-yl]methyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate

C₁₈₃H₁₆₈F₂N₅₄O₁₉S₂ — CID 157095991

About 5-amino-5-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]hexane-2-thione;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;4-hydroxy-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentan-2-one;2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide;6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[(3S)-morpholin-3-yl]methyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate

5-amino-5-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]hexane-2-thione;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;4-hydroxy-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentan-2-one;2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide;6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[(3S)-morpholin-3-yl]methyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate (PubChem CID 157095991) has the molecular formula C₁₈₃H₁₆₈F₂N₅₄O₁₉S₂ and a molecular weight of 3529.85 g/mol. Its IUPAC name is 5-amino-5-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]hexane-2-thione;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;4-hydroxy-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentan-2-one;2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide;6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[(3S)-morpholin-3-yl]methyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate.

Molecular Properties

• Compound Name: 5-amino-5-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]hexane-2-thione;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;4-hydroxy-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentan-2-one;2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide;6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[(3S)-morpholin-3-yl]methyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate
• PubChem CID: 157095991
• Molecular Formula: C₁₈₃H₁₆₈F₂N₅₄O₁₉S₂
• Molecular Weight: 3529.85 g/mol
• Exact Mass: 3527.32
• IUPAC Name: 5-amino-5-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]hexane-2-thione;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;4-hydroxy-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentan-2-one;2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide;6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[(3S)-morpholin-3-yl]methyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate
• SMILES: C=C(F)C(=O)Cc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1.CC1(C)COC(Cc2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(F)c4)c3c2)=N1.COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CNCCS(C)(=O)=O)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)CC(C)(C)O)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)OC[C@@H]4COCCN4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=S)CCC(C)(C)N)cc23)ccc1Oc1cc2nncn2cn1
• InChI: InChI=1S/C28H26N8O4S.C27H26N8O4.C27H28N8OS.C26H24N8O3.C26H25N7O3.C25H21FN8O2.C24H18FN7O2/c1-18-11-20(4-7-24(18)40-27-13-26-35-33-17-36(26)16-32-27)34-28-22-12-19(3-6-23(22)30-15-31-28)25-8-5-21(39-25)14-29-9-10-41(2,37)38;1-17-8-19(3-5-23(17)39-25-11-24-34-32-16-35(24)15-31-25)33-27-21-9-18(2-4-22(21)29-14-30-27)10-26(36)38-13-20-12-37-7-6-28-20;1-17-10-19(5-7-23(17)36-25-13-24-34-32-16-35(24)15-31-25)33-26-21-12-18(4-6-22(21)29-14-30-26)11-20(37)8-9-27(2,3)28;1-17-10-19(6-8-22(17)37-25-12-23-33-31-16-34(23)15-30-25)32-26-20-11-18(5-7-21(20)28-14-29-26)4-3-9-27-24(35)13-36-2;1-16-8-18(5-7-22(16)36-24-11-23-32-30-15-33(23)14-29-24)31-25-20-10-17(4-6-21(20)27-13-28-25)9-19(34)12-26(2,3)35;1-25(2)11-35-23(32-25)8-15-3-5-19-17(7-15)24(28-12-27-19)31-16-4-6-20(18(26)9-16)36-22-10-21-33-30-14-34(21)13-29-22;1-14-7-17(4-6-21(14)34-23-10-22-31-29-13-32(22)12-28-23)30-24-18-8-16(9-20(33)15(2)25)3-5-19(18)26-11-27-24/h3-8,11-13,15-17,29H,9-10,14H2,1-2H3,(H,30,31,34);2-5,8-9,11,14-16,20,28H,6-7,10,12-13H2,1H3,(H,29,30,33);4-7,10,12-16H,8-9,11,28H2,1-3H3,(H,29,30,33);3-8,10-12,14-16H,9,13H2,1-2H3,(H,27,35)(H,28,29,32);4-8,10-11,13-15,35H,9,12H2,1-3H3,(H,27,28,31);3-7,9-10,12-14H,8,11H2,1-2H3,(H,27,28,31);3-8,10-13H,2,9H2,1H3,(H,26,27,30)/b;;;4-3+;;;/t;20-;;;;;/m.0...../s1
• InChIKey: AFFGGOFKXYWYMB-KZTDTYQFSA-N
• XLogP: 29.50
• TPSA: 878.02 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 73
• Rotatable Bonds: 57
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3529.85
LogP ≤ 5	29.50
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	73

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]hexane-2-thione;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;4-hydroxy-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentan-2-one;2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide;6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[(3S)-morpholin-3-yl]methyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate?

The IUPAC name of 5-amino-5-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]hexane-2-thione;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;4-hydroxy-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentan-2-one;2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide;6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[(3S)-morpholin-3-yl]methyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate (CID 157095991) is 5-amino-5-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]hexane-2-thione;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;4-hydroxy-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentan-2-one;2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide;6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[(3S)-morpholin-3-yl]methyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate.

What is the SMILES notation for 5-amino-5-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]hexane-2-thione;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;4-hydroxy-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentan-2-one;2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide;6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[(3S)-morpholin-3-yl]methyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate?

The canonical SMILES for 5-amino-5-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]hexane-2-thione;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;4-hydroxy-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentan-2-one;2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide;6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[(3S)-morpholin-3-yl]methyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate is C=C(F)C(=O)Cc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1.CC1(C)COC(Cc2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(F)c4)c3c2)=N1.COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CNCCS(C)(=O)=O)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)CC(C)(C)O)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)OC[C@@H]4COCCN4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=S)CCC(C)(C)N)cc23)ccc1Oc1cc2nncn2cn1.

What is the InChIKey of 5-amino-5-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]hexane-2-thione;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;4-hydroxy-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentan-2-one;2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide;6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[(3S)-morpholin-3-yl]methyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate?

The InChIKey is AFFGGOFKXYWYMB-KZTDTYQFSA-N. The full InChI is InChI=1S/C28H26N8O4S.C27H26N8O4.C27H28N8OS.C26H24N8O3.C26H25N7O3.C25H21FN8O2.C24H18FN7O2/c1-18-11-20(4-7-24(18)40-27-13-26-35-33-17-36(26)16-32-27)34-28-22-12-19(3-6-23(22)30-15-31-28)25-8-5-21(39-25)14-29-9-10-41(2,37)38;1-17-8-19(3-5-23(17)39-25-11-24-34-32-16-35(24)15-31-25)33-27-21-9-18(2-4-22(21)29-14-30-27)10-26(36)38-13-20-12-37-7-6-28-20;1-17-10-19(5-7-23(17)36-25-13-24-34-32-16-35(24)15-31-25)33-26-21-12-18(4-6-22(21)29-14-30-26)11-20(37)8-9-27(2,3)28;1-17-10-19(6-8-22(17)37-25-12-23-33-31-16-34(23)15-30-25)32-26-20-11-18(5-7-21(20)28-14-29-26)4-3-9-27-24(35)13-36-2;1-16-8-18(5-7-22(16)36-24-11-23-32-30-15-33(23)14-29-24)31-25-20-10-17(4-6-21(20)27-13-28-25)9-19(34)12-26(2,3)35;1-25(2)11-35-23(32-25)8-15-3-5-19-17(7-15)24(28-12-27-19)31-16-4-6-20(18(26)9-16)36-22-10-21-33-30-14-34(21)13-29-22;1-14-7-17(4-6-21(14)34-23-10-22-31-29-13-32(22)12-28-23)30-24-18-8-16(9-20(33)15(2)25)3-5-19(18)26-11-27-24/h3-8,11-13,15-17,29H,9-10,14H2,1-2H3,(H,30,31,34);2-5,8-9,11,14-16,20,28H,6-7,10,12-13H2,1H3,(H,29,30,33);4-7,10,12-16H,8-9,11,28H2,1-3H3,(H,29,30,33);3-8,10-12,14-16H,9,13H2,1-2H3,(H,27,35)(H,28,29,32);4-8,10-11,13-15,35H,9,12H2,1-3H3,(H,27,28,31);3-7,9-10,12-14H,8,11H2,1-2H3,(H,27,28,31);3-8,10-13H,2,9H2,1H3,(H,26,27,30)/b;;;4-3+;;;/t;20-;;;;;/m.0...../s1.

What are the key properties of 5-amino-5-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]hexane-2-thione;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;4-hydroxy-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentan-2-one;2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide;6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[(3S)-morpholin-3-yl]methyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate?

5-amino-5-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]hexane-2-thione;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;4-hydroxy-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentan-2-one;2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide;6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[(3S)-morpholin-3-yl]methyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate has a molecular weight of 3529.85 g/mol, XLogP of 29.50, 57 rotatable bonds, 12 hydrogen bond donors, and 73 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-5-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]hexane-2-thione;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;4-hydroxy-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentan-2-one;2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide;6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[(3S)-morpholin-3-yl]methyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate is sourced from PubChem (CID 157095991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157095991 — identifiers, structure, computed properties (public domain)

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