S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate

C267H242Cl4F12N24O50S5 — CID 160529072

IUPACS-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate
SMILESCCCC(OC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1)c1ccccc1.COc1cc2nccc(Oc3cc(C)c(NC(=O)OC(C)c4cccc(OC(F)(F)F)c4)cc3C)c2cc1OC.COc1cc2nccc(Oc3cc(C)c(NC(=O)Sc4ccc(Cl)cc4C)cc3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OC(C)c4cccc(OC(F)(F)F)c4)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OC(C)c4cccc(OC(F)(F)F)c4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)Sc4ccc(Cl)cc4C)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)Sc4ccc(Cl)cc4C)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)OC(C)c4cccc(OC(F)(F)F)c4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)OCCCSc4ccccn4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)Sc4ccc(Cl)cc4C)cc3)c2cc1OC
InChIInChI=1S/2C29H27F3N2O6.C28H28N2O5.2C27H25ClN2O4S.C27H23F3N2O6.C26H22F3N3O6.C25H21ClN2O4S.C25H24N4O5S.C24H20ClN3O4S/c1-16-12-25(39-24-9-10-33-23-15-27(37-5)26(36-4)14-21(23)24)17(2)11-22(16)34-28(35)38-18(3)19-7-6-8-20(13-19)40-29(30,31)32;1-16-17(2)24(39-25-11-12-33-23-15-27(37-5)26(36-4)14-21(23)25)10-9-22(16)34-28(35)38-18(3)19-7-6-8-20(13-19)40-29(30,31)32;1-4-8-24(19-9-6-5-7-10-19)35-28(31)30-20-11-13-21(14-12-20)34-25-15-16-29-23-18-27(33-3)26(32-2)17-22(23)25;1-15-12-18(28)6-9-26(15)35-27(31)30-20-7-8-22(17(3)16(20)2)34-23-10-11-29-21-14-25(33-5)24(32-4)13-19(21)23;1-15-12-23(34-22-8-9-29-21-14-25(33-5)24(32-4)13-19(21)22)16(2)11-20(15)30-27(31)35-26-7-6-18(28)10-17(26)3;1-16(17-5-4-6-20(13-17)38-27(28,29)30)36-26(33)32-18-7-9-19(10-8-18)37-23-11-12-31-22-15-25(35-3)24(34-2)14-21(22)23;1-15(16-5-4-6-19(11-16)38-26(27,28)29)36-25(33)32-17-7-9-18(10-8-17)37-24-20-12-22(34-2)23(35-3)13-21(20)30-14-31-24;1-15-12-16(26)4-9-24(15)33-25(29)28-17-5-7-18(8-6-17)32-21-10-11-27-20-14-23(31-3)22(30-2)13-19(20)21;1-31-21-14-19-20(15-22(21)32-2)27-16-28-24(19)34-18-9-7-17(8-10-18)29-25(30)33-12-5-13-35-23-6-3-4-11-26-23;1-14-10-15(25)4-9-22(14)33-24(29)28-16-5-7-17(8-6-16)32-23-18-11-20(30-2)21(31-3)12-19(18)26-13-27-23/h2*6-15,18H,1-5H3,(H,34,35);5-7,9-18,24H,4,8H2,1-3H3,(H,30,31);2*6-14H,1-5H3,(H,30,31);4-16H,1-3H3,(H,32,33);4-15H,1-3H3,(H,32,33);4-14H,1-3H3,(H,28,29);3-4,6-11,14-16H,5,12-13H2,1-2H3,(H,29,30);4-13H,1-3H3,(H,28,29)
InChIKeyQVHHOXBDLLAEKD-UHFFFAOYSA-N
MW5117.11 g/mol
LogP72.29
Rot. Bonds75

About S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate

S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate (PubChem CID 160529072) has the molecular formula C267H242Cl4F12N24O50S5 and a molecular weight of 5117.11 g/mol. Its IUPAC name is S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate.

Molecular Properties

Compound NameS-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate
PubChem CID160529072
Molecular FormulaC267H242Cl4F12N24O50S5
Molecular Weight5117.11 g/mol
Exact Mass5111.43
IUPAC NameS-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate
SMILESCCCC(OC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1)c1ccccc1.COc1cc2nccc(Oc3cc(C)c(NC(=O)OC(C)c4cccc(OC(F)(F)F)c4)cc3C)c2cc1OC.COc1cc2nccc(Oc3cc(C)c(NC(=O)Sc4ccc(Cl)cc4C)cc3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OC(C)c4cccc(OC(F)(F)F)c4)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OC(C)c4cccc(OC(F)(F)F)c4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)Sc4ccc(Cl)cc4C)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)Sc4ccc(Cl)cc4C)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)OC(C)c4cccc(OC(F)(F)F)c4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)OCCCSc4ccccn4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)Sc4ccc(Cl)cc4C)cc3)c2cc1OC
InChIInChI=1S/2C29H27F3N2O6.C28H28N2O5.2C27H25ClN2O4S.C27H23F3N2O6.C26H22F3N3O6.C25H21ClN2O4S.C25H24N4O5S.C24H20ClN3O4S/c1-16-12-25(39-24-9-10-33-23-15-27(37-5)26(36-4)14-21(23)24)17(2)11-22(16)34-28(35)38-18(3)19-7-6-8-20(13-19)40-29(30,31)32;1-16-17(2)24(39-25-11-12-33-23-15-27(37-5)26(36-4)14-21(23)25)10-9-22(16)34-28(35)38-18(3)19-7-6-8-20(13-19)40-29(30,31)32;1-4-8-24(19-9-6-5-7-10-19)35-28(31)30-20-11-13-21(14-12-20)34-25-15-16-29-23-18-27(33-3)26(32-2)17-22(23)25;1-15-12-18(28)6-9-26(15)35-27(31)30-20-7-8-22(17(3)16(20)2)34-23-10-11-29-21-14-25(33-5)24(32-4)13-19(21)23;1-15-12-23(34-22-8-9-29-21-14-25(33-5)24(32-4)13-19(21)22)16(2)11-20(15)30-27(31)35-26-7-6-18(28)10-17(26)3;1-16(17-5-4-6-20(13-17)38-27(28,29)30)36-26(33)32-18-7-9-19(10-8-18)37-23-11-12-31-22-15-25(35-3)24(34-2)14-21(22)23;1-15(16-5-4-6-19(11-16)38-26(27,28)29)36-25(33)32-17-7-9-18(10-8-17)37-24-20-12-22(34-2)23(35-3)13-21(20)30-14-31-24;1-15-12-16(26)4-9-24(15)33-25(29)28-17-5-7-18(8-6-17)32-21-10-11-27-20-14-23(31-3)22(30-2)13-19(20)21;1-31-21-14-19-20(15-22(21)32-2)27-16-28-24(19)34-18-9-7-17(8-10-18)29-25(30)33-12-5-13-35-23-6-3-4-11-26-23;1-14-10-15(25)4-9-22(14)33-24(29)28-16-5-7-17(8-6-16)32-23-18-11-20(30-2)21(31-3)12-19(18)26-13-27-23/h2*6-15,18H,1-5H3,(H,34,35);5-7,9-18,24H,4,8H2,1-3H3,(H,30,31);2*6-14H,1-5H3,(H,30,31);4-16H,1-3H3,(H,32,33);4-15H,1-3H3,(H,32,33);4-14H,1-3H3,(H,28,29);3-4,6-11,14-16H,5,12-13H2,1-2H3,(H,29,30);4-13H,1-3H3,(H,28,29)
InChIKeyQVHHOXBDLLAEKD-UHFFFAOYSA-N
XLogP72.29
TPSA840.66 Ų
H-Bond Donors10
H-Bond Acceptors69
Rotatable Bonds75
Heavy Atoms362
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005117.11
LogP ≤ 572.29
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1069

Analyze S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate?
The IUPAC name of S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate (CID 160529072) is S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate.
What is the SMILES notation for S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate?
The canonical SMILES for S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate is CCCC(OC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1)c1ccccc1.COc1cc2nccc(Oc3cc(C)c(NC(=O)OC(C)c4cccc(OC(F)(F)F)c4)cc3C)c2cc1OC.COc1cc2nccc(Oc3cc(C)c(NC(=O)Sc4ccc(Cl)cc4C)cc3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OC(C)c4cccc(OC(F)(F)F)c4)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OC(C)c4cccc(OC(F)(F)F)c4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)Sc4ccc(Cl)cc4C)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)Sc4ccc(Cl)cc4C)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)OC(C)c4cccc(OC(F)(F)F)c4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)OCCCSc4ccccn4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)Sc4ccc(Cl)cc4C)cc3)c2cc1OC.
What is the InChIKey of S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate?
The InChIKey is QVHHOXBDLLAEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H27F3N2O6.C28H28N2O5.2C27H25ClN2O4S.C27H23F3N2O6.C26H22F3N3O6.C25H21ClN2O4S.C25H24N4O5S.C24H20ClN3O4S/c1-16-12-25(39-24-9-10-33-23-15-27(37-5)26(36-4)14-21(23)24)17(2)11-22(16)34-28(35)38-18(3)19-7-6-8-20(13-19)40-29(30,31)32;1-16-17(2)24(39-25-11-12-33-23-15-27(37-5)26(36-4)14-21(23)25)10-9-22(16)34-28(35)38-18(3)19-7-6-8-20(13-19)40-29(30,31)32;1-4-8-24(19-9-6-5-7-10-19)35-28(31)30-20-11-13-21(14-12-20)34-25-15-16-29-23-18-27(33-3)26(32-2)17-22(23)25;1-15-12-18(28)6-9-26(15)35-27(31)30-20-7-8-22(17(3)16(20)2)34-23-10-11-29-21-14-25(33-5)24(32-4)13-19(21)23;1-15-12-23(34-22-8-9-29-21-14-25(33-5)24(32-4)13-19(21)22)16(2)11-20(15)30-27(31)35-26-7-6-18(28)10-17(26)3;1-16(17-5-4-6-20(13-17)38-27(28,29)30)36-26(33)32-18-7-9-19(10-8-18)37-23-11-12-31-22-15-25(35-3)24(34-2)14-21(22)23;1-15(16-5-4-6-19(11-16)38-26(27,28)29)36-25(33)32-17-7-9-18(10-8-17)37-24-20-12-22(34-2)23(35-3)13-21(20)30-14-31-24;1-15-12-16(26)4-9-24(15)33-25(29)28-17-5-7-18(8-6-17)32-21-10-11-27-20-14-23(31-3)22(30-2)13-19(20)21;1-31-21-14-19-20(15-22(21)32-2)27-16-28-24(19)34-18-9-7-17(8-10-18)29-25(30)33-12-5-13-35-23-6-3-4-11-26-23;1-14-10-15(25)4-9-22(14)33-24(29)28-16-5-7-17(8-6-16)32-23-18-11-20(30-2)21(31-3)12-19(18)26-13-27-23/h2*6-15,18H,1-5H3,(H,34,35);5-7,9-18,24H,4,8H2,1-3H3,(H,30,31);2*6-14H,1-5H3,(H,30,31);4-16H,1-3H3,(H,32,33);4-15H,1-3H3,(H,32,33);4-14H,1-3H3,(H,28,29);3-4,6-11,14-16H,5,12-13H2,1-2H3,(H,29,30);4-13H,1-3H3,(H,28,29).
What are the key properties of S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate?
S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate has a molecular weight of 5117.11 g/mol, XLogP of 72.29, 75 rotatable bonds, 10 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamothioate;S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioate;1-phenylbutyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-pyridin-2-ylsulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethoxy)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate is sourced from PubChem (CID 160529072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).