1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea

C210H247N35O24S8 — CID 158254741

IUPAC1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea
SMILESCCN(CCNC(=S)Nc1cc(C)c(Oc2ccnc3cc(OC)c(OC)cc23)cc1C)c1ccccc1C.CCN(CCNC(=S)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C)c1C)c1ccccc1C.COc1cc2nccc(Oc3cc(C)c(NC(=S)NCCCn4ccnc4)cc3C)c2cc1OC.COc1cc2nccc(Oc3cc(C)c(NC(=S)NCCN4CCCC4)cc3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NCCCn4ccnc4)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NCCN(C)C)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NCCN(C)C)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=S)NCCCN4CCCC4)cc3)c2cc1OC
InChIInChI=1S/2C31H36N4O3S.2C26H29N5O3S.C26H32N4O3S.C24H29N5O3S.C24H30N4O3S.C22H26N4O3S/c1-7-35(26-11-9-8-10-20(26)2)15-14-33-31(39)34-24-16-22(4)28(17-21(24)3)38-27-12-13-32-25-19-30(37-6)29(36-5)18-23(25)27;1-7-35(26-11-9-8-10-20(26)2)17-16-33-31(39)34-24-12-13-27(22(4)21(24)3)38-28-14-15-32-25-19-30(37-6)29(36-5)18-23(25)28;1-17-18(2)22(7-6-20(17)30-26(35)29-9-5-12-31-13-11-27-16-31)34-23-8-10-28-21-15-25(33-4)24(32-3)14-19(21)23;1-17-13-23(34-22-6-8-28-21-15-25(33-4)24(32-3)14-19(21)22)18(2)12-20(17)30-26(35)29-7-5-10-31-11-9-27-16-31;1-17-14-23(18(2)13-20(17)29-26(34)28-9-12-30-10-5-6-11-30)33-22-7-8-27-21-16-25(32-4)24(31-3)15-19(21)22;1-30-21-14-19-20(15-22(21)31-2)26-16-27-23(19)32-18-8-6-17(7-9-18)28-24(33)25-10-5-13-29-11-3-4-12-29;1-15-16(2)20(8-7-18(15)27-24(32)26-11-12-28(3)4)31-21-9-10-25-19-14-23(30-6)22(29-5)13-17(19)21;1-26(2)12-11-24-22(30)25-15-5-7-16(8-6-15)29-19-9-10-23-18-14-21(28-4)20(27-3)13-17(18)19/h8-13,16-19H,7,14-15H2,1-6H3,(H2,33,34,39);8-15,18-19H,7,16-17H2,1-6H3,(H2,33,34,39);6-8,10-11,13-16H,5,9,12H2,1-4H3,(H2,29,30,35);6,8-9,11-16H,5,7,10H2,1-4H3,(H2,29,30,35);7-8,13-16H,5-6,9-12H2,1-4H3,(H2,28,29,34);6-9,14-16H,3-5,10-13H2,1-2H3,(H2,25,28,33);7-10,13-14H,11-12H2,1-6H3,(H2,26,27,32);5-10,13-14H,11-12H2,1-4H3,(H2,24,25,30)
InChIKeyGHDJRIJORIYAKC-UHFFFAOYSA-N
MW3902.04 g/mol
LogP41.69
Rot. Bonds71

About 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea

1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea (PubChem CID 158254741) has the molecular formula C210H247N35O24S8 and a molecular weight of 3902.04 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea
PubChem CID158254741
Molecular FormulaC210H247N35O24S8
Molecular Weight3902.04 g/mol
Exact Mass3898.69
IUPAC Name1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea
SMILESCCN(CCNC(=S)Nc1cc(C)c(Oc2ccnc3cc(OC)c(OC)cc23)cc1C)c1ccccc1C.CCN(CCNC(=S)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C)c1C)c1ccccc1C.COc1cc2nccc(Oc3cc(C)c(NC(=S)NCCCn4ccnc4)cc3C)c2cc1OC.COc1cc2nccc(Oc3cc(C)c(NC(=S)NCCN4CCCC4)cc3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NCCCn4ccnc4)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NCCN(C)C)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NCCN(C)C)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=S)NCCCN4CCCC4)cc3)c2cc1OC
InChIInChI=1S/2C31H36N4O3S.2C26H29N5O3S.C26H32N4O3S.C24H29N5O3S.C24H30N4O3S.C22H26N4O3S/c1-7-35(26-11-9-8-10-20(26)2)15-14-33-31(39)34-24-16-22(4)28(17-21(24)3)38-27-12-13-32-25-19-30(37-6)29(36-5)18-23(25)27;1-7-35(26-11-9-8-10-20(26)2)17-16-33-31(39)34-24-12-13-27(22(4)21(24)3)38-28-14-15-32-25-19-30(37-6)29(36-5)18-23(25)28;1-17-18(2)22(7-6-20(17)30-26(35)29-9-5-12-31-13-11-27-16-31)34-23-8-10-28-21-15-25(33-4)24(32-3)14-19(21)23;1-17-13-23(34-22-6-8-28-21-15-25(33-4)24(32-3)14-19(21)22)18(2)12-20(17)30-26(35)29-7-5-10-31-11-9-27-16-31;1-17-14-23(18(2)13-20(17)29-26(34)28-9-12-30-10-5-6-11-30)33-22-7-8-27-21-16-25(32-4)24(31-3)15-19(21)22;1-30-21-14-19-20(15-22(21)31-2)26-16-27-23(19)32-18-8-6-17(7-9-18)28-24(33)25-10-5-13-29-11-3-4-12-29;1-15-16(2)20(8-7-18(15)27-24(32)26-11-12-28(3)4)31-21-9-10-25-19-14-23(30-6)22(29-5)13-17(19)21;1-26(2)12-11-24-22(30)25-15-5-7-16(8-6-15)29-19-9-10-23-18-14-21(28-4)20(27-3)13-17(18)19/h8-13,16-19H,7,14-15H2,1-6H3,(H2,33,34,39);8-15,18-19H,7,16-17H2,1-6H3,(H2,33,34,39);6-8,10-11,13-16H,5,9,12H2,1-4H3,(H2,29,30,35);6,8-9,11-16H,5,7,10H2,1-4H3,(H2,29,30,35);7-8,13-16H,5-6,9-12H2,1-4H3,(H2,28,29,34);6-9,14-16H,3-5,10-13H2,1-2H3,(H2,25,28,33);7-10,13-14H,11-12H2,1-6H3,(H2,26,27,32);5-10,13-14H,11-12H2,1-4H3,(H2,24,25,30)
InChIKeyGHDJRIJORIYAKC-UHFFFAOYSA-N
XLogP41.69
TPSA585.09 Ų
H-Bond Donors16
H-Bond Acceptors51
Rotatable Bonds71
Heavy Atoms277
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003902.04
LogP ≤ 541.69
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_urea_B(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea?
The IUPAC name of 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea (CID 158254741) is 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea.
What is the SMILES notation for 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea?
The canonical SMILES for 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea is CCN(CCNC(=S)Nc1cc(C)c(Oc2ccnc3cc(OC)c(OC)cc23)cc1C)c1ccccc1C.CCN(CCNC(=S)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C)c1C)c1ccccc1C.COc1cc2nccc(Oc3cc(C)c(NC(=S)NCCCn4ccnc4)cc3C)c2cc1OC.COc1cc2nccc(Oc3cc(C)c(NC(=S)NCCN4CCCC4)cc3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NCCCn4ccnc4)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NCCN(C)C)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NCCN(C)C)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=S)NCCCN4CCCC4)cc3)c2cc1OC.
What is the InChIKey of 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea?
The InChIKey is GHDJRIJORIYAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H36N4O3S.2C26H29N5O3S.C26H32N4O3S.C24H29N5O3S.C24H30N4O3S.C22H26N4O3S/c1-7-35(26-11-9-8-10-20(26)2)15-14-33-31(39)34-24-16-22(4)28(17-21(24)3)38-27-12-13-32-25-19-30(37-6)29(36-5)18-23(25)27;1-7-35(26-11-9-8-10-20(26)2)17-16-33-31(39)34-24-12-13-27(22(4)21(24)3)38-28-14-15-32-25-19-30(37-6)29(36-5)18-23(25)28;1-17-18(2)22(7-6-20(17)30-26(35)29-9-5-12-31-13-11-27-16-31)34-23-8-10-28-21-15-25(33-4)24(32-3)14-19(21)23;1-17-13-23(34-22-6-8-28-21-15-25(33-4)24(32-3)14-19(21)22)18(2)12-20(17)30-26(35)29-7-5-10-31-11-9-27-16-31;1-17-14-23(18(2)13-20(17)29-26(34)28-9-12-30-10-5-6-11-30)33-22-7-8-27-21-16-25(32-4)24(31-3)15-19(21)22;1-30-21-14-19-20(15-22(21)31-2)26-16-27-23(19)32-18-8-6-17(7-9-18)28-24(33)25-10-5-13-29-11-3-4-12-29;1-15-16(2)20(8-7-18(15)27-24(32)26-11-12-28(3)4)31-21-9-10-25-19-14-23(30-6)22(29-5)13-17(19)21;1-26(2)12-11-24-22(30)25-15-5-7-16(8-6-15)29-19-9-10-23-18-14-21(28-4)20(27-3)13-17(18)19/h8-13,16-19H,7,14-15H2,1-6H3,(H2,33,34,39);8-15,18-19H,7,16-17H2,1-6H3,(H2,33,34,39);6-8,10-11,13-16H,5,9,12H2,1-4H3,(H2,29,30,35);6,8-9,11-16H,5,7,10H2,1-4H3,(H2,29,30,35);7-8,13-16H,5-6,9-12H2,1-4H3,(H2,28,29,34);6-9,14-16H,3-5,10-13H2,1-2H3,(H2,25,28,33);7-10,13-14H,11-12H2,1-6H3,(H2,26,27,32);5-10,13-14H,11-12H2,1-4H3,(H2,24,25,30).
What are the key properties of 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea?
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea has a molecular weight of 3902.04 g/mol, XLogP of 41.69, 71 rotatable bonds, 16 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(dimethylamino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-pyrrolidin-1-ylethyl)thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(dimethylamino)ethyl]thiourea is sourced from PubChem (CID 158254741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).