4-amino-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-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;[4-methyl-2-[[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;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

C181H164F2N54O18S2 — CID 159201758

About 4-amino-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-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;[4-methyl-2-[[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;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

4-amino-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-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;[4-methyl-2-[[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;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 (PubChem CID 159201758) has the molecular formula C181H164F2N54O18S2 and a molecular weight of 3485.79 g/mol. Its IUPAC name is 4-amino-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-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;[4-methyl-2-[[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;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.

Molecular Properties

• Compound Name: 4-amino-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-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;[4-methyl-2-[[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;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
• PubChem CID: 159201758
• Molecular Formula: C181H164F2N54O18S2
• Molecular Weight: 3485.79 g/mol
• Exact Mass: 3483.30
• IUPAC Name: 4-amino-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-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;[4-methyl-2-[[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;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
• 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(=S)CC(C)(C)N)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(CO)CO4)cc23)ccc1Oc1cc2nncn2cn1
• InChI: InChI=1S/C28H26N8O4S.2C26H24N8O3.C26H26N8OS.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;1-16-7-18(4-6-21(16)37-23-10-22-33-30-15-34(22)14-29-23)31-25-19-8-17(3-5-20(19)27-13-28-25)9-24-32-26(2,11-35)12-36-24;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)35-24-11-23-33-31-15-34(23)14-30-24)32-25-20-10-17(4-6-21(20)28-13-29-25)9-19(36)12-26(2,3)27;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);3-8,10,13-15,35H,9,11-12H2,1-2H3,(H,27,28,31);3-8,10-12,14-16H,9,13H2,1-2H3,(H,27,35)(H,28,29,32);4-8,10-11,13-15H,9,12,27H2,1-3H3,(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+
• InChIKey: KPJLGEAFJSOYRB-FSMVFUEESA-N
• XLogP: 29.76
• TPSA: 872.28 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 72
• Rotatable Bonds: 55
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3485.79
LogP ≤ 5	29.76
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	72

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 4-amino-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-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;[4-methyl-2-[[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;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?

The IUPAC name of 4-amino-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-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;[4-methyl-2-[[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;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 (CID 159201758) is 4-amino-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-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;[4-methyl-2-[[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;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.

What is the SMILES notation for 4-amino-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-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;[4-methyl-2-[[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;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?

The canonical SMILES for 4-amino-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-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;[4-methyl-2-[[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;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 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(=S)CC(C)(C)N)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(CO)CO4)cc23)ccc1Oc1cc2nncn2cn1.

What is the InChIKey of 4-amino-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-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;[4-methyl-2-[[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;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?

The InChIKey is KPJLGEAFJSOYRB-FSMVFUEESA-N. The full InChI is InChI=1S/C28H26N8O4S.2C26H24N8O3.C26H26N8OS.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;1-16-7-18(4-6-21(16)37-23-10-22-33-30-15-34(22)14-29-23)31-25-19-8-17(3-5-20(19)27-13-28-25)9-24-32-26(2,11-35)12-36-24;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)35-24-11-23-33-31-15-34(23)14-30-24)32-25-20-10-17(4-6-21(20)28-13-29-25)9-19(36)12-26(2,3)27;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);3-8,10,13-15,35H,9,11-12H2,1-2H3,(H,27,28,31);3-8,10-12,14-16H,9,13H2,1-2H3,(H,27,35)(H,28,29,32);4-8,10-11,13-15H,9,12,27H2,1-3H3,(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+;;;;.

What are the key properties of 4-amino-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-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;[4-methyl-2-[[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;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?

4-amino-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-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;[4-methyl-2-[[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;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 has a molecular weight of 3485.79 g/mol, XLogP of 29.76, 55 rotatable bonds, 12 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-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;[4-methyl-2-[[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;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 is sourced from PubChem (CID 159201758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).