1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea

C216H256N36O32S2 — CID 157118216

IUPAC1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea
SMILESCCN(CC)CCCNC(=S)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1.CCN(CC)CCNC(=S)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(CC5CCCCC5)C4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NN4CCCCC4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(CC5CCCCC5)C4)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(CC5CCCCC5)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)cc3)c2cc1OC
InChIInChI=1S/C30H32N4O4.C29H31N5O4.C29H36N4O4.C28H34N6O6.C28H35N5O4.C25H32N4O3S.C24H30N4O3S.C23H26N4O4/c1-36-28-18-25-26(19-29(28)37-2)31-15-12-27(25)38-24-10-8-22(9-11-24)32-30(35)33-23-13-16-34(17-14-23)20-21-6-4-3-5-7-21;1-36-26-16-24-25(17-27(26)37-2)30-19-31-28(24)38-23-10-8-21(9-11-23)32-29(35)33-22-12-14-34(15-13-22)18-20-6-4-3-5-7-20;1-35-27-16-24-25(17-28(27)36-2)30-14-12-26(24)37-23-10-8-21(9-11-23)31-29(34)32-22-13-15-33(19-22)18-20-6-4-3-5-7-20;1-38-25-13-21-23(14-26(25)39-2)29-17-30-27(21)40-20-8-9-22(24(12-20)34(36)37)32-28(35)31-19-10-11-33(16-19)15-18-6-4-3-5-7-18;1-35-25-14-23-24(15-26(25)36-2)29-18-30-27(23)37-22-10-8-20(9-11-22)31-28(34)32-21-12-13-33(17-21)16-19-6-4-3-5-7-19;1-5-29(6-2)15-7-13-27-25(33)28-18-8-10-19(11-9-18)32-22-12-14-26-21-17-24(31-4)23(30-3)16-20(21)22;1-5-28(6-2)14-13-26-24(32)27-17-7-9-18(10-8-17)31-21-11-12-25-20-16-23(30-4)22(29-3)15-19(20)21;1-29-21-14-18-19(15-22(21)30-2)24-11-10-20(18)31-17-8-6-16(7-9-17)25-23(28)26-27-12-4-3-5-13-27/h3-12,15,18-19,23H,13-14,16-17,20H2,1-2H3,(H2,32,33,35);3-11,16-17,19,22H,12-15,18H2,1-2H3,(H2,32,33,35);8-12,14,16-17,20,22H,3-7,13,15,18-19H2,1-2H3,(H2,31,32,34);8-9,12-14,17-19H,3-7,10-11,15-16H2,1-2H3,(H2,31,32,35);8-11,14-15,18-19,21H,3-7,12-13,16-17H2,1-2H3,(H2,31,32,34);8-12,14,16-17H,5-7,13,15H2,1-4H3,(H2,27,28,33);7-12,15-16H,5-6,13-14H2,1-4H3,(H2,26,27,32);6-11,14-15H,3-5,12-13H2,1-2H3,(H2,25,26,28)
InChIKeyAHQOCWKVJIEOGO-UHFFFAOYSA-N
MW3932.78 g/mol
LogP41.52
Rot. Bonds68

About 1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea

1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea (PubChem CID 157118216) has the molecular formula C216H256N36O32S2 and a molecular weight of 3932.78 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea
PubChem CID157118216
Molecular FormulaC216H256N36O32S2
Molecular Weight3932.78 g/mol
Exact Mass3929.90
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea
SMILESCCN(CC)CCCNC(=S)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1.CCN(CC)CCNC(=S)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(CC5CCCCC5)C4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NN4CCCCC4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(CC5CCCCC5)C4)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(CC5CCCCC5)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)cc3)c2cc1OC
InChIInChI=1S/C30H32N4O4.C29H31N5O4.C29H36N4O4.C28H34N6O6.C28H35N5O4.C25H32N4O3S.C24H30N4O3S.C23H26N4O4/c1-36-28-18-25-26(19-29(28)37-2)31-15-12-27(25)38-24-10-8-22(9-11-24)32-30(35)33-23-13-16-34(17-14-23)20-21-6-4-3-5-7-21;1-36-26-16-24-25(17-27(26)37-2)30-19-31-28(24)38-23-10-8-21(9-11-23)32-29(35)33-22-12-14-34(15-13-22)18-20-6-4-3-5-7-20;1-35-27-16-24-25(17-28(27)36-2)30-14-12-26(24)37-23-10-8-21(9-11-23)31-29(34)32-22-13-15-33(19-22)18-20-6-4-3-5-7-20;1-38-25-13-21-23(14-26(25)39-2)29-17-30-27(21)40-20-8-9-22(24(12-20)34(36)37)32-28(35)31-19-10-11-33(16-19)15-18-6-4-3-5-7-18;1-35-25-14-23-24(15-26(25)36-2)29-18-30-27(23)37-22-10-8-20(9-11-22)31-28(34)32-21-12-13-33(17-21)16-19-6-4-3-5-7-19;1-5-29(6-2)15-7-13-27-25(33)28-18-8-10-19(11-9-18)32-22-12-14-26-21-17-24(31-4)23(30-3)16-20(21)22;1-5-28(6-2)14-13-26-24(32)27-17-7-9-18(10-8-17)31-21-11-12-25-20-16-23(30-4)22(29-3)15-19(20)21;1-29-21-14-18-19(15-22(21)30-2)24-11-10-20(18)31-17-8-6-16(7-9-17)25-23(28)26-27-12-4-3-5-13-27/h3-12,15,18-19,23H,13-14,16-17,20H2,1-2H3,(H2,32,33,35);3-11,16-17,19,22H,12-15,18H2,1-2H3,(H2,32,33,35);8-12,14,16-17,20,22H,3-7,13,15,18-19H2,1-2H3,(H2,31,32,34);8-9,12-14,17-19H,3-7,10-11,15-16H2,1-2H3,(H2,31,32,35);8-11,14-15,18-19,21H,3-7,12-13,16-17H2,1-2H3,(H2,31,32,34);8-12,14,16-17H,5-7,13,15H2,1-4H3,(H2,27,28,33);7-12,15-16H,5-6,13-14H2,1-4H3,(H2,26,27,32);6-11,14-15H,3-5,12-13H2,1-2H3,(H2,25,26,28)
InChIKeyAHQOCWKVJIEOGO-UHFFFAOYSA-N
XLogP41.52
TPSA727.27 Ų
H-Bond Donors16
H-Bond Acceptors53
Rotatable Bonds68
Heavy Atoms286
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003932.78
LogP ≤ 541.52
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea (CID 157118216) is 1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea is CCN(CC)CCCNC(=S)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1.CCN(CC)CCNC(=S)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(CC5CCCCC5)C4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NN4CCCCC4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(CC5CCCCC5)C4)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(CC5CCCCC5)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)cc3)c2cc1OC.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea?
The InChIKey is AHQOCWKVJIEOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4.C29H31N5O4.C29H36N4O4.C28H34N6O6.C28H35N5O4.C25H32N4O3S.C24H30N4O3S.C23H26N4O4/c1-36-28-18-25-26(19-29(28)37-2)31-15-12-27(25)38-24-10-8-22(9-11-24)32-30(35)33-23-13-16-34(17-14-23)20-21-6-4-3-5-7-21;1-36-26-16-24-25(17-27(26)37-2)30-19-31-28(24)38-23-10-8-21(9-11-23)32-29(35)33-22-12-14-34(15-13-22)18-20-6-4-3-5-7-20;1-35-27-16-24-25(17-28(27)36-2)30-14-12-26(24)37-23-10-8-21(9-11-23)31-29(34)32-22-13-15-33(19-22)18-20-6-4-3-5-7-20;1-38-25-13-21-23(14-26(25)39-2)29-17-30-27(21)40-20-8-9-22(24(12-20)34(36)37)32-28(35)31-19-10-11-33(16-19)15-18-6-4-3-5-7-18;1-35-25-14-23-24(15-26(25)36-2)29-18-30-27(23)37-22-10-8-20(9-11-22)31-28(34)32-21-12-13-33(17-21)16-19-6-4-3-5-7-19;1-5-29(6-2)15-7-13-27-25(33)28-18-8-10-19(11-9-18)32-22-12-14-26-21-17-24(31-4)23(30-3)16-20(21)22;1-5-28(6-2)14-13-26-24(32)27-17-7-9-18(10-8-17)31-21-11-12-25-20-16-23(30-4)22(29-3)15-19(20)21;1-29-21-14-18-19(15-22(21)30-2)24-11-10-20(18)31-17-8-6-16(7-9-17)25-23(28)26-27-12-4-3-5-13-27/h3-12,15,18-19,23H,13-14,16-17,20H2,1-2H3,(H2,32,33,35);3-11,16-17,19,22H,12-15,18H2,1-2H3,(H2,32,33,35);8-12,14,16-17,20,22H,3-7,13,15,18-19H2,1-2H3,(H2,31,32,34);8-9,12-14,17-19H,3-7,10-11,15-16H2,1-2H3,(H2,31,32,35);8-11,14-15,18-19,21H,3-7,12-13,16-17H2,1-2H3,(H2,31,32,34);8-12,14,16-17H,5-7,13,15H2,1-4H3,(H2,27,28,33);7-12,15-16H,5-6,13-14H2,1-4H3,(H2,26,27,32);6-11,14-15H,3-5,12-13H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea?
1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea has a molecular weight of 3932.78 g/mol, XLogP of 41.52, 68 rotatable bonds, 16 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[2-(diethylamino)ethyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-piperidin-1-ylurea is sourced from PubChem (CID 157118216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).