1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea

C330H372Cl2FN57O57 — CID 159344337

IUPAC1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea
SMILESCCN(CC)CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C)c1.CCN(CC)CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1C.CCN(CC)CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1[N+](=O)[O-].CCN(CC)CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl.CCN(CC)CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1[N+](=O)[O-].COc1cc(Oc2ncnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC1CCN(Cc2ccccc2)CC1.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)c(C)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)cc3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)cc3Cl)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)cc3F)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c3)c2cc1OC
InChIInChI=1S/2C31H34N4O4.C30H31ClN4O4.C30H31FN4O4.C30H33N5O5.2C29H30N6O6.2C25H32N4O4.C24H29N5O6.C23H28ClN5O4.C23H28N6O6/c1-21-17-24(34-31(36)33-23-12-15-35(16-13-23)20-22-7-5-4-6-8-22)9-10-27(21)39-28-11-14-32-26-19-30(38-3)29(37-2)18-25(26)28;1-21-17-24(39-28-11-14-32-27-19-30(38-3)29(37-2)18-25(27)28)9-10-26(21)34-31(36)33-23-12-15-35(16-13-23)20-22-7-5-4-6-8-22;2*1-37-28-17-23-25(18-29(28)38-2)32-13-10-26(23)39-27-9-8-22(16-24(27)31)34-30(36)33-21-11-14-35(15-12-21)19-20-6-4-3-5-7-20;1-37-26-15-22(40-29-23-16-27(38-2)28(39-3)17-25(23)31-19-32-29)9-10-24(26)34-30(36)33-21-11-13-35(14-12-21)18-20-7-5-4-6-8-20;2*1-39-26-15-22-24(16-27(26)40-2)30-18-31-28(22)41-21-8-9-23(25(14-21)35(37)38)33-29(36)32-20-10-12-34(13-11-20)17-19-6-4-3-5-7-19;1-6-29(7-2)13-12-27-25(30)28-18-8-9-21(17(3)14-18)33-22-10-11-26-20-16-24(32-5)23(31-4)15-19(20)22;1-6-29(7-2)13-12-27-25(30)28-20-9-8-18(14-17(20)3)33-22-10-11-26-21-16-24(32-5)23(31-4)15-19(21)22;1-5-28(6-2)12-11-26-24(30)27-18-8-7-16(13-20(18)29(31)32)35-21-9-10-25-19-15-23(34-4)22(33-3)14-17(19)21;1-5-29(6-2)10-9-25-23(30)28-18-8-7-15(11-17(18)24)33-22-16-12-20(31-3)21(32-4)13-19(16)26-14-27-22;1-5-28(6-2)10-9-24-23(30)27-17-8-7-15(11-19(17)29(31)32)35-22-16-12-20(33-3)21(34-4)13-18(16)25-14-26-22/h2*4-11,14,17-19,23H,12-13,15-16,20H2,1-3H3,(H2,33,34,36);2*3-10,13,16-18,21H,11-12,14-15,19H2,1-2H3,(H2,33,34,36);4-10,15-17,19,21H,11-14,18H2,1-3H3,(H2,33,34,36);2*3-9,14-16,18,20H,10-13,17H2,1-2H3,(H2,32,33,36);2*8-11,14-16H,6-7,12-13H2,1-5H3,(H2,27,28,30);7-10,13-15H,5-6,11-12H2,1-4H3,(H2,26,27,30);7-8,11-14H,5-6,9-10H2,1-4H3,(H2,25,28,30);7-8,11-14H,5-6,9-10H2,1-4H3,(H2,24,27,30)
InChIKeyLGNKFQZUFMEGJN-UHFFFAOYSA-N
MW6138.85 g/mol
LogP62.65
Rot. Bonds111

About 1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea

1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea (PubChem CID 159344337) has the molecular formula C330H372Cl2FN57O57 and a molecular weight of 6138.85 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea
PubChem CID159344337
Molecular FormulaC330H372Cl2FN57O57
Molecular Weight6138.85 g/mol
Exact Mass6133.73
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea
SMILESCCN(CC)CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C)c1.CCN(CC)CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1C.CCN(CC)CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1[N+](=O)[O-].CCN(CC)CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl.CCN(CC)CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1[N+](=O)[O-].COc1cc(Oc2ncnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC1CCN(Cc2ccccc2)CC1.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)c(C)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)cc3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)cc3Cl)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)cc3F)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c3)c2cc1OC
InChIInChI=1S/2C31H34N4O4.C30H31ClN4O4.C30H31FN4O4.C30H33N5O5.2C29H30N6O6.2C25H32N4O4.C24H29N5O6.C23H28ClN5O4.C23H28N6O6/c1-21-17-24(34-31(36)33-23-12-15-35(16-13-23)20-22-7-5-4-6-8-22)9-10-27(21)39-28-11-14-32-26-19-30(38-3)29(37-2)18-25(26)28;1-21-17-24(39-28-11-14-32-27-19-30(38-3)29(37-2)18-25(27)28)9-10-26(21)34-31(36)33-23-12-15-35(16-13-23)20-22-7-5-4-6-8-22;2*1-37-28-17-23-25(18-29(28)38-2)32-13-10-26(23)39-27-9-8-22(16-24(27)31)34-30(36)33-21-11-14-35(15-12-21)19-20-6-4-3-5-7-20;1-37-26-15-22(40-29-23-16-27(38-2)28(39-3)17-25(23)31-19-32-29)9-10-24(26)34-30(36)33-21-11-13-35(14-12-21)18-20-7-5-4-6-8-20;2*1-39-26-15-22-24(16-27(26)40-2)30-18-31-28(22)41-21-8-9-23(25(14-21)35(37)38)33-29(36)32-20-10-12-34(13-11-20)17-19-6-4-3-5-7-19;1-6-29(7-2)13-12-27-25(30)28-18-8-9-21(17(3)14-18)33-22-10-11-26-20-16-24(32-5)23(31-4)15-19(20)22;1-6-29(7-2)13-12-27-25(30)28-20-9-8-18(14-17(20)3)33-22-10-11-26-21-16-24(32-5)23(31-4)15-19(21)22;1-5-28(6-2)12-11-26-24(30)27-18-8-7-16(13-20(18)29(31)32)35-21-9-10-25-19-15-23(34-4)22(33-3)14-17(19)21;1-5-29(6-2)10-9-25-23(30)28-18-8-7-15(11-17(18)24)33-22-16-12-20(31-3)21(32-4)13-19(16)26-14-27-22;1-5-28(6-2)10-9-24-23(30)27-17-8-7-15(11-19(17)29(31)32)35-22-16-12-20(33-3)21(34-4)13-18(16)25-14-26-22/h2*4-11,14,17-19,23H,12-13,15-16,20H2,1-3H3,(H2,33,34,36);2*3-10,13,16-18,21H,11-12,14-15,19H2,1-2H3,(H2,33,34,36);4-10,15-17,19,21H,11-14,18H2,1-3H3,(H2,33,34,36);2*3-9,14-16,18,20H,10-13,17H2,1-2H3,(H2,32,33,36);2*8-11,14-16H,6-7,12-13H2,1-5H3,(H2,27,28,30);7-10,13-15H,5-6,11-12H2,1-4H3,(H2,26,27,30);7-8,11-14H,5-6,9-10H2,1-4H3,(H2,25,28,30);7-8,11-14H,5-6,9-10H2,1-4H3,(H2,24,27,30)
InChIKeyLGNKFQZUFMEGJN-UHFFFAOYSA-N
XLogP62.65
TPSA1265.64 Ų
H-Bond Donors24
H-Bond Acceptors86
Rotatable Bonds111
Heavy Atoms447
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006138.85
LogP ≤ 562.65
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1086

Analyze 1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea (CID 159344337) is 1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea is CCN(CC)CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C)c1.CCN(CC)CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1C.CCN(CC)CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1[N+](=O)[O-].CCN(CC)CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl.CCN(CC)CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1[N+](=O)[O-].COc1cc(Oc2ncnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC1CCN(Cc2ccccc2)CC1.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)c(C)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)cc3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)cc3Cl)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)cc3F)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c3)c2cc1OC.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea?
The InChIKey is LGNKFQZUFMEGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H34N4O4.C30H31ClN4O4.C30H31FN4O4.C30H33N5O5.2C29H30N6O6.2C25H32N4O4.C24H29N5O6.C23H28ClN5O4.C23H28N6O6/c1-21-17-24(34-31(36)33-23-12-15-35(16-13-23)20-22-7-5-4-6-8-22)9-10-27(21)39-28-11-14-32-26-19-30(38-3)29(37-2)18-25(26)28;1-21-17-24(39-28-11-14-32-27-19-30(38-3)29(37-2)18-25(27)28)9-10-26(21)34-31(36)33-23-12-15-35(16-13-23)20-22-7-5-4-6-8-22;2*1-37-28-17-23-25(18-29(28)38-2)32-13-10-26(23)39-27-9-8-22(16-24(27)31)34-30(36)33-21-11-14-35(15-12-21)19-20-6-4-3-5-7-20;1-37-26-15-22(40-29-23-16-27(38-2)28(39-3)17-25(23)31-19-32-29)9-10-24(26)34-30(36)33-21-11-13-35(14-12-21)18-20-7-5-4-6-8-20;2*1-39-26-15-22-24(16-27(26)40-2)30-18-31-28(22)41-21-8-9-23(25(14-21)35(37)38)33-29(36)32-20-10-12-34(13-11-20)17-19-6-4-3-5-7-19;1-6-29(7-2)13-12-27-25(30)28-18-8-9-21(17(3)14-18)33-22-10-11-26-20-16-24(32-5)23(31-4)15-19(20)22;1-6-29(7-2)13-12-27-25(30)28-20-9-8-18(14-17(20)3)33-22-10-11-26-21-16-24(32-5)23(31-4)15-19(21)22;1-5-28(6-2)12-11-26-24(30)27-18-8-7-16(13-20(18)29(31)32)35-21-9-10-25-19-15-23(34-4)22(33-3)14-17(19)21;1-5-29(6-2)10-9-25-23(30)28-18-8-7-15(11-17(18)24)33-22-16-12-20(31-3)21(32-4)13-19(16)26-14-27-22;1-5-28(6-2)10-9-24-23(30)27-17-8-7-15(11-19(17)29(31)32)35-22-16-12-20(33-3)21(34-4)13-18(16)25-14-26-22/h2*4-11,14,17-19,23H,12-13,15-16,20H2,1-3H3,(H2,33,34,36);2*3-10,13,16-18,21H,11-12,14-15,19H2,1-2H3,(H2,33,34,36);4-10,15-17,19,21H,11-14,18H2,1-3H3,(H2,33,34,36);2*3-9,14-16,18,20H,10-13,17H2,1-2H3,(H2,32,33,36);2*8-11,14-16H,6-7,12-13H2,1-5H3,(H2,27,28,30);7-10,13-15H,5-6,11-12H2,1-4H3,(H2,26,27,30);7-8,11-14H,5-6,9-10H2,1-4H3,(H2,25,28,30);7-8,11-14H,5-6,9-10H2,1-4H3,(H2,24,27,30).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea?
1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea has a molecular weight of 6138.85 g/mol, XLogP of 62.65, 111 rotatable bonds, 24 hydrogen bond donors, and 86 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]urea;bis(1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea);1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(diethylamino)ethyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea is sourced from PubChem (CID 159344337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).