N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine

C186H178F2N56O14S2 — CID 158146727

IUPACN-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(-c4ccc(CN(C)CCS(C)(=O)=O)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(/C=C/CN(C)C)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)CCC4CC4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)N(C)CC(C)(C)N)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=S)CC(C)(C)CO)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NCC(F)(F)CN4)cc23)ccc1Oc1cc2nncn2cn1
InChIInChI=1S/C29H28N8O4S.C27H29N9O2.C27H27N7O2S.C27H25N7O2.C26H24N8O2.C25H21F2N9O.C25H24N8O/c1-19-12-21(5-8-25(19)41-28-14-27-35-33-18-37(27)17-32-28)34-29-23-13-20(4-7-24(23)30-16-31-29)26-9-6-22(40-26)15-36(2)10-11-42(3,38)39;1-17-9-19(6-8-22(17)38-24-12-23-34-32-16-36(23)15-31-24)33-26-20-10-18(5-7-21(20)29-14-30-26)11-25(37)35(4)13-27(2,3)28;1-17-8-19(5-7-23(17)36-25-11-24-33-31-16-34(24)15-30-25)32-26-21-10-18(4-6-22(21)28-14-29-26)9-20(37)12-27(2,3)13-35;1-17-10-20(6-9-24(17)36-26-13-25-33-31-16-34(25)15-30-26)32-27-22-12-19(5-8-23(22)28-14-29-27)11-21(35)7-4-18-2-3-18;1-16-8-18(5-7-21(16)36-23-11-22-33-30-15-34(22)14-29-23)31-25-19-9-17(4-6-20(19)27-13-28-25)10-24-32-26(2,3)12-35-24;1-15-6-17(3-5-20(15)37-23-9-22-35-33-14-36(22)13-32-23)34-24-18-7-16(2-4-19(18)30-12-31-24)8-21-28-10-25(26,27)11-29-21;1-17-11-19(7-9-22(17)34-24-13-23-31-29-16-33(23)15-28-24)30-25-20-12-18(5-4-10-32(2)3)6-8-21(20)26-14-27-25/h4-9,12-14,16-18H,10-11,15H2,1-3H3,(H,30,31,34);5-10,12,14-16H,11,13,28H2,1-4H3,(H,29,30,33);4-8,10-11,14-16,35H,9,12-13H2,1-3H3,(H,28,29,32);5-6,8-10,12-16,18H,2-4,7,11H2,1H3,(H,28,29,32);4-9,11,13-15H,10,12H2,1-3H3,(H,27,28,31);2-7,9,12-14H,8,10-11H2,1H3,(H,28,29)(H,30,31,34);4-9,11-16H,10H2,1-3H3,(H,26,27,30)/b;;;;;;5-4+
InChIKeyFUPLCKNLMCWNNL-VXFYIOOSSA-N
MW3523.98 g/mol
LogP31.98
Rot. Bonds55

About N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine

N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine (PubChem CID 158146727) has the molecular formula C186H178F2N56O14S2 and a molecular weight of 3523.98 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]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 NameN-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine
PubChem CID158146727
Molecular FormulaC186H178F2N56O14S2
Molecular Weight3523.98 g/mol
Exact Mass3521.43
IUPAC NameN-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(-c4ccc(CN(C)CCS(C)(=O)=O)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(/C=C/CN(C)C)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)CCC4CC4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)N(C)CC(C)(C)N)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=S)CC(C)(C)CO)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NCC(F)(F)CN4)cc23)ccc1Oc1cc2nncn2cn1
InChIInChI=1S/C29H28N8O4S.C27H29N9O2.C27H27N7O2S.C27H25N7O2.C26H24N8O2.C25H21F2N9O.C25H24N8O/c1-19-12-21(5-8-25(19)41-28-14-27-35-33-18-37(27)17-32-28)34-29-23-13-20(4-7-24(23)30-16-31-29)26-9-6-22(40-26)15-36(2)10-11-42(3,38)39;1-17-9-19(6-8-22(17)38-24-12-23-34-32-16-36(23)15-31-24)33-26-20-10-18(5-7-21(20)29-14-30-26)11-25(37)35(4)13-27(2,3)28;1-17-8-19(5-7-23(17)36-25-11-24-33-31-16-34(24)15-30-25)32-26-21-10-18(4-6-22(21)28-14-29-26)9-20(37)12-27(2,3)13-35;1-17-10-20(6-9-24(17)36-26-13-25-33-31-16-34(25)15-30-26)32-27-22-12-19(5-8-23(22)28-14-29-27)11-21(35)7-4-18-2-3-18;1-16-8-18(5-7-21(16)36-23-11-22-33-30-15-34(22)14-29-23)31-25-19-9-17(4-6-20(19)27-13-28-25)10-24-32-26(2,3)12-35-24;1-15-6-17(3-5-20(15)37-23-9-22-35-33-14-36(22)13-32-23)34-24-18-7-16(2-4-19(18)30-12-31-24)8-21-28-10-25(26,27)11-29-21;1-17-11-19(7-9-22(17)34-24-13-23-31-29-16-33(23)15-28-24)30-25-20-12-18(5-4-10-32(2)3)6-8-21(20)26-14-27-25/h4-9,12-14,16-18H,10-11,15H2,1-3H3,(H,30,31,34);5-10,12,14-16H,11,13,28H2,1-4H3,(H,29,30,33);4-8,10-11,14-16,35H,9,12-13H2,1-3H3,(H,28,29,32);5-6,8-10,12-16,18H,2-4,7,11H2,1H3,(H,28,29,32);4-9,11,13-15H,10,12H2,1-3H3,(H,27,28,31);2-7,9,12-14H,8,10-11H2,1H3,(H,28,29)(H,30,31,34);4-9,11-16H,10H2,1-3H3,(H,26,27,30)/b;;;;;;5-4+
InChIKeyFUPLCKNLMCWNNL-VXFYIOOSSA-N
XLogP31.98
TPSA814.21 Ų
H-Bond Donors10
H-Bond Acceptors70
Rotatable Bonds55
Heavy Atoms260
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003523.98
LogP ≤ 531.98
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1070

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]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 N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine (CID 158146727) is N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]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 N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]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 N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine is Cc1cc(Nc2ncnc3ccc(-c4ccc(CN(C)CCS(C)(=O)=O)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(/C=C/CN(C)C)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)CCC4CC4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)N(C)CC(C)(C)N)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=S)CC(C)(C)CO)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NCC(F)(F)CN4)cc23)ccc1Oc1cc2nncn2cn1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]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 FUPLCKNLMCWNNL-VXFYIOOSSA-N. The full InChI is InChI=1S/C29H28N8O4S.C27H29N9O2.C27H27N7O2S.C27H25N7O2.C26H24N8O2.C25H21F2N9O.C25H24N8O/c1-19-12-21(5-8-25(19)41-28-14-27-35-33-18-37(27)17-32-28)34-29-23-13-20(4-7-24(23)30-16-31-29)26-9-6-22(40-26)15-36(2)10-11-42(3,38)39;1-17-9-19(6-8-22(17)38-24-12-23-34-32-16-36(23)15-31-24)33-26-20-10-18(5-7-21(20)29-14-30-26)11-25(37)35(4)13-27(2,3)28;1-17-8-19(5-7-23(17)36-25-11-24-33-31-16-34(24)15-30-25)32-26-21-10-18(4-6-22(21)28-14-29-26)9-20(37)12-27(2,3)13-35;1-17-10-20(6-9-24(17)36-26-13-25-33-31-16-34(25)15-30-26)32-27-22-12-19(5-8-23(22)28-14-29-27)11-21(35)7-4-18-2-3-18;1-16-8-18(5-7-21(16)36-23-11-22-33-30-15-34(22)14-29-23)31-25-19-9-17(4-6-20(19)27-13-28-25)10-24-32-26(2,3)12-35-24;1-15-6-17(3-5-20(15)37-23-9-22-35-33-14-36(22)13-32-23)34-24-18-7-16(2-4-19(18)30-12-31-24)8-21-28-10-25(26,27)11-29-21;1-17-11-19(7-9-22(17)34-24-13-23-31-29-16-33(23)15-28-24)30-25-20-12-18(5-4-10-32(2)3)6-8-21(20)26-14-27-25/h4-9,12-14,16-18H,10-11,15H2,1-3H3,(H,30,31,34);5-10,12,14-16H,11,13,28H2,1-4H3,(H,29,30,33);4-8,10-11,14-16,35H,9,12-13H2,1-3H3,(H,28,29,32);5-6,8-10,12-16,18H,2-4,7,11H2,1H3,(H,28,29,32);4-9,11,13-15H,10,12H2,1-3H3,(H,27,28,31);2-7,9,12-14H,8,10-11H2,1H3,(H,28,29)(H,30,31,34);4-9,11-16H,10H2,1-3H3,(H,26,27,30)/b;;;;;;5-4+.
What are the key properties of N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine?
N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]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 3523.98 g/mol, XLogP of 31.98, 55 rotatable bonds, 10 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]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 158146727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).