6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide

C158H138F3N45O14S — CID 161192475

IUPAC6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide
SMILESC=C(F)C(=O)Cc1cc2c(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)ncnc2cc1F.C=C(F)C(=O)Cc1cc2c(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)ncnc2cc1OCC.C=CC(=O)Cc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CCCCS(C)(=O)=O)n4C)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(/C=C/CNC(=O)C4CC4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)cc(C)c1Oc1cc2nncn2cn1
InChIInChI=1S/C30H30N8O3S.C27H26N8O2.C27H24N8O2.C26H22FN7O3.C24H17F2N7O2.C24H19N7O2/c1-20-14-22(8-12-27(20)41-29-16-28-36-34-19-38(28)18-33-29)35-30-24-15-21(7-10-25(24)31-17-32-30)26-11-9-23(37(26)2)6-4-5-13-42(3,39)40;1-16-7-19(8-17(2)25(16)37-23-11-22-34-31-15-35(22)14-30-23)32-26-20-9-18(5-6-21(20)28-13-29-26)10-24-33-27(3,4)12-36-24;1-17-11-20(7-9-23(17)37-25-13-24-34-32-16-35(24)15-31-25)33-26-21-12-18(4-8-22(21)29-14-30-26)3-2-10-28-27(36)19-5-6-19;1-4-36-23-10-20-19(8-17(23)9-21(35)16(3)27)26(29-12-28-20)32-18-5-6-22(15(2)7-18)37-25-11-24-33-31-14-34(24)13-30-25;1-13-5-16(3-4-21(13)35-23-9-22-32-30-12-33(22)11-29-23)31-24-17-6-15(7-20(34)14(2)25)18(26)8-19(17)27-10-28-24;1-3-18(32)9-16-4-6-20-19(10-16)24(26-12-25-20)29-17-5-7-21(15(2)8-17)33-23-11-22-30-28-14-31(22)13-27-23/h7-12,14-19H,4-6,13H2,1-3H3,(H,31,32,35);5-9,11,13-15H,10,12H2,1-4H3,(H,28,29,32);2-4,7-9,11-16,19H,5-6,10H2,1H3,(H,28,36)(H,29,30,33);5-8,10-14H,3-4,9H2,1-2H3,(H,28,29,32);3-6,8-12H,2,7H2,1H3,(H,27,28,31);3-8,10-14H,1,9H2,2H3,(H,25,26,29)/b;;3-2+;;;
InChIKeyUTXFPHQMIQVWNF-CUJREBMMSA-N
MW2980.20 g/mol
LogP28.47
Rot. Bonds47

About 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide

6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide (PubChem CID 161192475) has the molecular formula C158H138F3N45O14S and a molecular weight of 2980.20 g/mol. Its IUPAC name is 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide.

Molecular Properties

Compound Name6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide
PubChem CID161192475
Molecular FormulaC158H138F3N45O14S
Molecular Weight2980.20 g/mol
Exact Mass2978.11
IUPAC Name6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide
SMILESC=C(F)C(=O)Cc1cc2c(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)ncnc2cc1F.C=C(F)C(=O)Cc1cc2c(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)ncnc2cc1OCC.C=CC(=O)Cc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CCCCS(C)(=O)=O)n4C)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(/C=C/CNC(=O)C4CC4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)cc(C)c1Oc1cc2nncn2cn1
InChIInChI=1S/C30H30N8O3S.C27H26N8O2.C27H24N8O2.C26H22FN7O3.C24H17F2N7O2.C24H19N7O2/c1-20-14-22(8-12-27(20)41-29-16-28-36-34-19-38(28)18-33-29)35-30-24-15-21(7-10-25(24)31-17-32-30)26-11-9-23(37(26)2)6-4-5-13-42(3,39)40;1-16-7-19(8-17(2)25(16)37-23-11-22-34-31-15-35(22)14-30-23)32-26-20-9-18(5-6-21(20)28-13-29-26)10-24-33-27(3,4)12-36-24;1-17-11-20(7-9-23(17)37-25-13-24-34-32-16-35(24)15-31-25)33-26-21-12-18(4-8-22(21)29-14-30-26)3-2-10-28-27(36)19-5-6-19;1-4-36-23-10-20-19(8-17(23)9-21(35)16(3)27)26(29-12-28-20)32-18-5-6-22(15(2)7-18)37-25-11-24-33-31-14-34(24)13-30-25;1-13-5-16(3-4-21(13)35-23-9-22-32-30-12-33(22)11-29-23)31-24-17-6-15(7-20(34)14(2)25)18(26)8-19(17)27-10-28-24;1-3-18(32)9-16-4-6-20-19(10-16)24(26-12-25-20)29-17-5-7-21(15(2)8-17)33-23-11-22-30-28-14-31(22)13-27-23/h7-12,14-19H,4-6,13H2,1-3H3,(H,31,32,35);5-9,11,13-15H,10,12H2,1-4H3,(H,28,29,32);2-4,7-9,11-16,19H,5-6,10H2,1H3,(H,28,36)(H,29,30,33);5-8,10-14H,3-4,9H2,1-2H3,(H,28,29,32);3-6,8-12H,2,7H2,1H3,(H,27,28,31);3-8,10-14H,1,9H2,2H3,(H,25,26,29)/b;;3-2+;;;
InChIKeyUTXFPHQMIQVWNF-CUJREBMMSA-N
XLogP28.47
TPSA690.92 Ų
H-Bond Donors7
H-Bond Acceptors58
Rotatable Bonds47
Heavy Atoms221
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002980.20
LogP ≤ 528.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide?
The IUPAC name of 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide (CID 161192475) is 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide.
What is the SMILES notation for 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide?
The canonical SMILES for 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide is C=C(F)C(=O)Cc1cc2c(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)ncnc2cc1F.C=C(F)C(=O)Cc1cc2c(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)ncnc2cc1OCC.C=CC(=O)Cc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CCCCS(C)(=O)=O)n4C)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(/C=C/CNC(=O)C4CC4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)cc(C)c1Oc1cc2nncn2cn1.
What is the InChIKey of 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide?
The InChIKey is UTXFPHQMIQVWNF-CUJREBMMSA-N. The full InChI is InChI=1S/C30H30N8O3S.C27H26N8O2.C27H24N8O2.C26H22FN7O3.C24H17F2N7O2.C24H19N7O2/c1-20-14-22(8-12-27(20)41-29-16-28-36-34-19-38(28)18-33-29)35-30-24-15-21(7-10-25(24)31-17-32-30)26-11-9-23(37(26)2)6-4-5-13-42(3,39)40;1-16-7-19(8-17(2)25(16)37-23-11-22-34-31-15-35(22)14-30-23)32-26-20-9-18(5-6-21(20)28-13-29-26)10-24-33-27(3,4)12-36-24;1-17-11-20(7-9-23(17)37-25-13-24-34-32-16-35(24)15-31-25)33-26-21-12-18(4-8-22(21)29-14-30-26)3-2-10-28-27(36)19-5-6-19;1-4-36-23-10-20-19(8-17(23)9-21(35)16(3)27)26(29-12-28-20)32-18-5-6-22(15(2)7-18)37-25-11-24-33-31-14-34(24)13-30-25;1-13-5-16(3-4-21(13)35-23-9-22-32-30-12-33(22)11-29-23)31-24-17-6-15(7-20(34)14(2)25)18(26)8-19(17)27-10-28-24;1-3-18(32)9-16-4-6-20-19(10-16)24(26-12-25-20)29-17-5-7-21(15(2)8-17)33-23-11-22-30-28-14-31(22)13-27-23/h7-12,14-19H,4-6,13H2,1-3H3,(H,31,32,35);5-9,11,13-15H,10,12H2,1-4H3,(H,28,29,32);2-4,7-9,11-16,19H,5-6,10H2,1H3,(H,28,36)(H,29,30,33);5-8,10-14H,3-4,9H2,1-2H3,(H,28,29,32);3-6,8-12H,2,7H2,1H3,(H,27,28,31);3-8,10-14H,1,9H2,2H3,(H,25,26,29)/b;;3-2+;;;.
What are the key properties of 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide?
6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide has a molecular weight of 2980.20 g/mol, XLogP of 28.47, 47 rotatable bonds, 7 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3,5-dimethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-fluorobut-3-en-2-one;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide is sourced from PubChem (CID 161192475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).