1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea

C228H263Cl2N37O39 — CID 159568622

IUPAC1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1Cl)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1[N+](=O)[O-])c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1OC)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1[N+](=O)[O-])c1cccc(C)c1.COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NCCN(C(C)C)C(C)C.COc1cc2nccc(Oc3cc(C)c(NC(=O)NCCN(C(C)C)C(C)C)cc3C)c2cc1OC
InChIInChI=1S/C30H34N4O5.C29H31ClN4O4.C29H31N5O6.C29H33N5O5.C28H30ClN5O4.C28H30N6O6.C28H38N4O4.C27H36N4O5/c1-6-34(21-9-7-8-20(2)16-21)15-14-32-30(35)33-24-11-10-22(17-27(24)36-3)39-26-12-13-31-25-19-29(38-5)28(37-4)18-23(25)26;1-5-34(20-8-6-7-19(2)15-20)14-13-32-29(35)33-24-10-9-21(16-23(24)30)38-26-11-12-31-25-18-28(37-4)27(36-3)17-22(25)26;1-5-33(20-8-6-7-19(2)15-20)14-13-31-29(35)32-23-10-9-21(16-25(23)34(36)37)40-26-11-12-30-24-18-28(39-4)27(38-3)17-22(24)26;1-6-34(20-9-7-8-19(2)14-20)13-12-30-29(35)33-23-11-10-21(15-25(23)36-3)39-28-22-16-26(37-4)27(38-5)17-24(22)31-18-32-28;1-5-34(19-8-6-7-18(2)13-19)12-11-30-28(35)33-23-10-9-20(14-22(23)29)38-27-21-15-25(36-3)26(37-4)16-24(21)31-17-32-27;1-5-33(19-8-6-7-18(2)13-19)12-11-29-28(35)32-22-10-9-20(14-24(22)34(36)37)40-27-21-15-25(38-3)26(39-4)16-23(21)30-17-31-27;1-17(2)32(18(3)4)12-11-30-28(33)31-22-13-20(6)25(14-19(22)5)36-24-9-10-29-23-16-27(35-8)26(34-7)15-21(23)24;1-17(2)31(18(3)4)13-12-29-27(32)30-21-9-8-19(14-24(21)33-5)36-23-10-11-28-22-16-26(35-7)25(34-6)15-20(22)23/h7-13,16-19H,6,14-15H2,1-5H3,(H2,32,33,35);6-12,15-18H,5,13-14H2,1-4H3,(H2,32,33,35);6-12,15-18H,5,13-14H2,1-4H3,(H2,31,32,35);7-11,14-18H,6,12-13H2,1-5H3,(H2,30,33,35);6-10,13-17H,5,11-12H2,1-4H3,(H2,30,33,35);6-10,13-17H,5,11-12H2,1-4H3,(H2,29,32,35);9-10,13-18H,11-12H2,1-8H3,(H2,30,31,33);8-11,14-18H,12-13H2,1-7H3,(H2,29,30,32)
InChIKeyMHNIUWLRWFDCBX-UHFFFAOYSA-N
MW4216.74 g/mol
LogP46.52
Rot. Bonds85

About 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea

1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea (PubChem CID 159568622) has the molecular formula C228H263Cl2N37O39 and a molecular weight of 4216.74 g/mol. Its IUPAC name is 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea.

Molecular Properties

Compound Name1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
PubChem CID159568622
Molecular FormulaC228H263Cl2N37O39
Molecular Weight4216.74 g/mol
Exact Mass4212.91
IUPAC Name1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1Cl)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1[N+](=O)[O-])c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1OC)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1[N+](=O)[O-])c1cccc(C)c1.COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NCCN(C(C)C)C(C)C.COc1cc2nccc(Oc3cc(C)c(NC(=O)NCCN(C(C)C)C(C)C)cc3C)c2cc1OC
InChIInChI=1S/C30H34N4O5.C29H31ClN4O4.C29H31N5O6.C29H33N5O5.C28H30ClN5O4.C28H30N6O6.C28H38N4O4.C27H36N4O5/c1-6-34(21-9-7-8-20(2)16-21)15-14-32-30(35)33-24-11-10-22(17-27(24)36-3)39-26-12-13-31-25-19-29(38-5)28(37-4)18-23(25)26;1-5-34(20-8-6-7-19(2)15-20)14-13-32-29(35)33-24-10-9-21(16-23(24)30)38-26-11-12-31-25-18-28(37-4)27(36-3)17-22(25)26;1-5-33(20-8-6-7-19(2)15-20)14-13-31-29(35)32-23-10-9-21(16-25(23)34(36)37)40-26-11-12-30-24-18-28(39-4)27(38-3)17-22(24)26;1-6-34(20-9-7-8-19(2)14-20)13-12-30-29(35)33-23-11-10-21(15-25(23)36-3)39-28-22-16-26(37-4)27(38-5)17-24(22)31-18-32-28;1-5-34(19-8-6-7-18(2)13-19)12-11-30-28(35)33-23-10-9-20(14-22(23)29)38-27-21-15-25(36-3)26(37-4)16-24(21)31-17-32-27;1-5-33(19-8-6-7-18(2)13-19)12-11-29-28(35)32-22-10-9-20(14-24(22)34(36)37)40-27-21-15-25(38-3)26(39-4)16-23(21)30-17-31-27;1-17(2)32(18(3)4)12-11-30-28(33)31-22-13-20(6)25(14-19(22)5)36-24-9-10-29-23-16-27(35-8)26(34-7)15-21(23)24;1-17(2)31(18(3)4)13-12-29-27(32)30-21-9-8-19(14-24(21)33-5)36-23-10-11-28-22-16-26(35-7)25(34-6)15-20(22)23/h7-13,16-19H,6,14-15H2,1-5H3,(H2,32,33,35);6-12,15-18H,5,13-14H2,1-4H3,(H2,32,33,35);6-12,15-18H,5,13-14H2,1-4H3,(H2,31,32,35);7-11,14-18H,6,12-13H2,1-5H3,(H2,30,33,35);6-10,13-17H,5,11-12H2,1-4H3,(H2,30,33,35);6-10,13-17H,5,11-12H2,1-4H3,(H2,29,32,35);9-10,13-18H,11-12H2,1-8H3,(H2,30,31,33);8-11,14-18H,12-13H2,1-7H3,(H2,29,30,32)
InChIKeyMHNIUWLRWFDCBX-UHFFFAOYSA-N
XLogP46.52
TPSA832.24 Ų
H-Bond Donors16
H-Bond Acceptors58
Rotatable Bonds85
Heavy Atoms306
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004216.74
LogP ≤ 546.52
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1058

Analyze 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The IUPAC name of 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea (CID 159568622) is 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea.
What is the SMILES notation for 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The canonical SMILES for 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea is CCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1Cl)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1[N+](=O)[O-])c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1OC)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1[N+](=O)[O-])c1cccc(C)c1.COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NCCN(C(C)C)C(C)C.COc1cc2nccc(Oc3cc(C)c(NC(=O)NCCN(C(C)C)C(C)C)cc3C)c2cc1OC.
What is the InChIKey of 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The InChIKey is MHNIUWLRWFDCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O5.C29H31ClN4O4.C29H31N5O6.C29H33N5O5.C28H30ClN5O4.C28H30N6O6.C28H38N4O4.C27H36N4O5/c1-6-34(21-9-7-8-20(2)16-21)15-14-32-30(35)33-24-11-10-22(17-27(24)36-3)39-26-12-13-31-25-19-29(38-5)28(37-4)18-23(25)26;1-5-34(20-8-6-7-19(2)15-20)14-13-32-29(35)33-24-10-9-21(16-23(24)30)38-26-11-12-31-25-18-28(37-4)27(36-3)17-22(25)26;1-5-33(20-8-6-7-19(2)15-20)14-13-31-29(35)32-23-10-9-21(16-25(23)34(36)37)40-26-11-12-30-24-18-28(39-4)27(38-3)17-22(24)26;1-6-34(20-9-7-8-19(2)14-20)13-12-30-29(35)33-23-11-10-21(15-25(23)36-3)39-28-22-16-26(37-4)27(38-5)17-24(22)31-18-32-28;1-5-34(19-8-6-7-18(2)13-19)12-11-30-28(35)33-23-10-9-20(14-22(23)29)38-27-21-15-25(36-3)26(37-4)16-24(21)31-17-32-27;1-5-33(19-8-6-7-18(2)13-19)12-11-29-28(35)32-22-10-9-20(14-24(22)34(36)37)40-27-21-15-25(38-3)26(39-4)16-23(21)30-17-31-27;1-17(2)32(18(3)4)12-11-30-28(33)31-22-13-20(6)25(14-19(22)5)36-24-9-10-29-23-16-27(35-8)26(34-7)15-21(23)24;1-17(2)31(18(3)4)13-12-29-27(32)30-21-9-8-19(14-24(21)33-5)36-23-10-11-28-22-16-26(35-7)25(34-6)15-20(22)23/h7-13,16-19H,6,14-15H2,1-5H3,(H2,32,33,35);6-12,15-18H,5,13-14H2,1-4H3,(H2,32,33,35);6-12,15-18H,5,13-14H2,1-4H3,(H2,31,32,35);7-11,14-18H,6,12-13H2,1-5H3,(H2,30,33,35);6-10,13-17H,5,11-12H2,1-4H3,(H2,30,33,35);6-10,13-17H,5,11-12H2,1-4H3,(H2,29,32,35);9-10,13-18H,11-12H2,1-8H3,(H2,30,31,33);8-11,14-18H,12-13H2,1-7H3,(H2,29,30,32).
What are the key properties of 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea has a molecular weight of 4216.74 g/mol, XLogP of 46.52, 85 rotatable bonds, 16 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea is sourced from PubChem (CID 159568622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).