3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate

C220H195Cl3F21N19O40S — CID 158536912

IUPAC3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate
SMILESCOc1cc2nccc(Oc3cc(C)c(NC(=O)OCCc4cccc(C(F)(F)F)c4)cc3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OC(C)c4cccc(C(F)(F)F)c4)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OC(C)c4cccc(C(F)(F)F)c4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OCCc4cccc(C(F)(F)F)c4)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OCCc4cccc(C(F)(F)F)c4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)OCCCSc4ccc(Cl)cc4C)c(Cl)c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)OCCc4cccc(C(F)(F)F)c4)c(Cl)c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)OCCc4cccc(C(F)(F)F)c4)cc3)c2cc1OC
InChIInChI=1S/3C29H27F3N2O5.C27H25Cl2N3O5S.2C27H23F3N2O5.C26H21ClF3N3O5.C26H22F3N3O5/c1-16-17(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)29(30,31)32;1-17-13-25(39-24-8-10-33-23-16-27(37-4)26(36-3)15-21(23)24)18(2)12-22(17)34-28(35)38-11-9-19-6-5-7-20(14-19)29(30,31)32;1-17-18(2)24(39-25-10-12-33-23-16-27(37-4)26(36-3)15-21(23)25)9-8-22(17)34-28(35)38-13-11-19-6-5-7-20(14-19)29(30,31)32;1-16-11-17(28)5-8-25(16)38-10-4-9-36-27(33)32-21-7-6-18(12-20(21)29)37-26-19-13-23(34-2)24(35-3)14-22(19)30-15-31-26;1-16(17-5-4-6-18(13-17)27(28,29)30)36-26(33)32-19-7-9-20(10-8-19)37-23-11-12-31-22-15-25(35-3)24(34-2)14-21(22)23;1-34-24-15-21-22(16-25(24)35-2)31-12-10-23(21)37-20-8-6-19(7-9-20)32-26(33)36-13-11-17-4-3-5-18(14-17)27(28,29)30;1-35-22-12-18-21(13-23(22)36-2)31-14-32-24(18)38-17-6-7-20(19(27)11-17)33-25(34)37-9-8-15-4-3-5-16(10-15)26(28,29)30;1-34-22-13-20-21(14-23(22)35-2)30-15-31-24(20)37-19-8-6-18(7-9-19)32-25(33)36-11-10-16-4-3-5-17(12-16)26(27,28)29/h6-15,18H,1-5H3,(H,34,35);5-8,10,12-16H,9,11H2,1-4H3,(H,34,35);5-10,12,14-16H,11,13H2,1-4H3,(H,34,35);5-8,11-15H,4,9-10H2,1-3H3,(H,32,33);4-16H,1-3H3,(H,32,33);3-10,12,14-16H,11,13H2,1-2H3,(H,32,33);3-7,10-14H,8-9H2,1-2H3,(H,33,34);3-9,12-15H,10-11H2,1-2H3,(H,32,33)
InChIKeyHOAZZOQSUMYOHD-UHFFFAOYSA-N
MW4282.46 g/mol
LogP58.10
Rot. Bonds64

About 3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate

3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate (PubChem CID 158536912) has the molecular formula C220H195Cl3F21N19O40S and a molecular weight of 4282.46 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate
PubChem CID158536912
Molecular FormulaC220H195Cl3F21N19O40S
Molecular Weight4282.46 g/mol
Exact Mass4278.23
IUPAC Name3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate
SMILESCOc1cc2nccc(Oc3cc(C)c(NC(=O)OCCc4cccc(C(F)(F)F)c4)cc3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OC(C)c4cccc(C(F)(F)F)c4)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OC(C)c4cccc(C(F)(F)F)c4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OCCc4cccc(C(F)(F)F)c4)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OCCc4cccc(C(F)(F)F)c4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)OCCCSc4ccc(Cl)cc4C)c(Cl)c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)OCCc4cccc(C(F)(F)F)c4)c(Cl)c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)OCCc4cccc(C(F)(F)F)c4)cc3)c2cc1OC
InChIInChI=1S/3C29H27F3N2O5.C27H25Cl2N3O5S.2C27H23F3N2O5.C26H21ClF3N3O5.C26H22F3N3O5/c1-16-17(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)29(30,31)32;1-17-13-25(39-24-8-10-33-23-16-27(37-4)26(36-3)15-21(23)24)18(2)12-22(17)34-28(35)38-11-9-19-6-5-7-20(14-19)29(30,31)32;1-17-18(2)24(39-25-10-12-33-23-16-27(37-4)26(36-3)15-21(23)25)9-8-22(17)34-28(35)38-13-11-19-6-5-7-20(14-19)29(30,31)32;1-16-11-17(28)5-8-25(16)38-10-4-9-36-27(33)32-21-7-6-18(12-20(21)29)37-26-19-13-23(34-2)24(35-3)14-22(19)30-15-31-26;1-16(17-5-4-6-18(13-17)27(28,29)30)36-26(33)32-19-7-9-20(10-8-19)37-23-11-12-31-22-15-25(35-3)24(34-2)14-21(22)23;1-34-24-15-21-22(16-25(24)35-2)31-12-10-23(21)37-20-8-6-19(7-9-20)32-26(33)36-13-11-17-4-3-5-18(14-17)27(28,29)30;1-35-22-12-18-21(13-23(22)36-2)31-14-32-24(18)38-17-6-7-20(19(27)11-17)33-25(34)37-9-8-15-4-3-5-16(10-15)26(28,29)30;1-34-22-13-20-21(14-23(22)35-2)30-15-31-24(20)37-19-8-6-18(7-9-19)32-25(33)36-11-10-16-4-3-5-17(12-16)26(27,28)29/h6-15,18H,1-5H3,(H,34,35);5-8,10,12-16H,9,11H2,1-4H3,(H,34,35);5-10,12,14-16H,11,13H2,1-4H3,(H,34,35);5-8,11-15H,4,9-10H2,1-3H3,(H,32,33);4-16H,1-3H3,(H,32,33);3-10,12,14-16H,11,13H2,1-2H3,(H,32,33);3-7,10-14H,8-9H2,1-2H3,(H,33,34);3-9,12-15H,10-11H2,1-2H3,(H,32,33)
InChIKeyHOAZZOQSUMYOHD-UHFFFAOYSA-N
XLogP58.10
TPSA669.95 Ų
H-Bond Donors8
H-Bond Acceptors52
Rotatable Bonds64
Heavy Atoms304
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004282.46
LogP ≤ 558.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)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 3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate?
The IUPAC name of 3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate (CID 158536912) is 3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate.
What is the SMILES notation for 3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate?
The canonical SMILES for 3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate is COc1cc2nccc(Oc3cc(C)c(NC(=O)OCCc4cccc(C(F)(F)F)c4)cc3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OC(C)c4cccc(C(F)(F)F)c4)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OC(C)c4cccc(C(F)(F)F)c4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OCCc4cccc(C(F)(F)F)c4)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OCCc4cccc(C(F)(F)F)c4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)OCCCSc4ccc(Cl)cc4C)c(Cl)c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)OCCc4cccc(C(F)(F)F)c4)c(Cl)c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)OCCc4cccc(C(F)(F)F)c4)cc3)c2cc1OC.
What is the InChIKey of 3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate?
The InChIKey is HOAZZOQSUMYOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C29H27F3N2O5.C27H25Cl2N3O5S.2C27H23F3N2O5.C26H21ClF3N3O5.C26H22F3N3O5/c1-16-17(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)29(30,31)32;1-17-13-25(39-24-8-10-33-23-16-27(37-4)26(36-3)15-21(23)24)18(2)12-22(17)34-28(35)38-11-9-19-6-5-7-20(14-19)29(30,31)32;1-17-18(2)24(39-25-10-12-33-23-16-27(37-4)26(36-3)15-21(23)25)9-8-22(17)34-28(35)38-13-11-19-6-5-7-20(14-19)29(30,31)32;1-16-11-17(28)5-8-25(16)38-10-4-9-36-27(33)32-21-7-6-18(12-20(21)29)37-26-19-13-23(34-2)24(35-3)14-22(19)30-15-31-26;1-16(17-5-4-6-18(13-17)27(28,29)30)36-26(33)32-19-7-9-20(10-8-19)37-23-11-12-31-22-15-25(35-3)24(34-2)14-21(22)23;1-34-24-15-21-22(16-25(24)35-2)31-12-10-23(21)37-20-8-6-19(7-9-20)32-26(33)36-13-11-17-4-3-5-18(14-17)27(28,29)30;1-35-22-12-18-21(13-23(22)36-2)31-14-32-24(18)38-17-6-7-20(19(27)11-17)33-25(34)37-9-8-15-4-3-5-16(10-15)26(28,29)30;1-34-22-13-20-21(14-23(22)35-2)30-15-31-24(20)37-19-8-6-18(7-9-19)32-25(33)36-11-10-16-4-3-5-17(12-16)26(27,28)29/h6-15,18H,1-5H3,(H,34,35);5-8,10,12-16H,9,11H2,1-4H3,(H,34,35);5-10,12,14-16H,11,13H2,1-4H3,(H,34,35);5-8,11-15H,4,9-10H2,1-3H3,(H,32,33);4-16H,1-3H3,(H,32,33);3-10,12,14-16H,11,13H2,1-2H3,(H,32,33);3-7,10-14H,8-9H2,1-2H3,(H,33,34);3-9,12-15H,10-11H2,1-2H3,(H,32,33).
What are the key properties of 3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate?
3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate has a molecular weight of 4282.46 g/mol, XLogP of 58.10, 64 rotatable bonds, 8 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-[3-(trifluoromethyl)phenyl]ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate is sourced from PubChem (CID 158536912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).