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

C221H267ClN38O37 — CID 159928122

IUPAC1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1cc(C)c(Oc2ccnc3cc(OC)c(OC)cc23)cc1C)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C)c1C)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1)c1cccc(C)c1.COc1cc(Oc2ncnc3cc(OC)c(OC)cc23)ccc1NC(=O)NCCN(C(C)C)C(C)C.COc1cc2nccc(Oc3ccc(NC(=O)NCCN(C(C)C)C(C)C)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NCCN(C(C)C)C(C)C)c(Cl)c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NCCN(C(C)C)C(C)C)c([N+](=O)[O-])c3)c2cc1OC
InChIInChI=1S/2C31H36N4O4.C29H32N4O4.C28H31N5O4.C26H33N5O6.C26H35N5O5.C25H32ClN5O4.C25H32N6O6/c1-7-35(23-10-8-9-20(2)15-23)14-13-33-31(36)34-25-16-22(4)28(17-21(25)3)39-27-11-12-32-26-19-30(38-6)29(37-5)18-24(26)27;1-7-35(23-10-8-9-20(2)17-23)16-15-33-31(36)34-25-11-12-27(22(4)21(25)3)39-28-13-14-32-26-19-30(38-6)29(37-5)18-24(26)28;1-5-33(22-8-6-7-20(2)17-22)16-15-31-29(34)32-21-9-11-23(12-10-21)37-26-13-14-30-25-19-28(36-4)27(35-3)18-24(25)26;1-5-33(21-8-6-7-19(2)15-21)14-13-29-28(34)32-20-9-11-22(12-10-20)37-27-23-16-25(35-3)26(36-4)17-24(23)30-18-31-27;1-16(2)30(17(3)4)12-11-28-26(32)29-20-8-7-18(13-22(20)31(33)34)37-23-9-10-27-21-15-25(36-6)24(35-5)14-19(21)23;1-16(2)31(17(3)4)11-10-27-26(32)30-20-9-8-18(12-22(20)33-5)36-25-19-13-23(34-6)24(35-7)14-21(19)28-15-29-25;1-15(2)31(16(3)4)10-9-27-25(32)30-20-8-7-17(11-19(20)26)35-24-18-12-22(33-5)23(34-6)13-21(18)28-14-29-24;1-15(2)30(16(3)4)10-9-26-25(32)29-19-8-7-17(11-21(19)31(33)34)37-24-18-12-22(35-5)23(36-6)13-20(18)27-14-28-24/h8-12,15-19H,7,13-14H2,1-6H3,(H2,33,34,36);8-14,17-19H,7,15-16H2,1-6H3,(H2,33,34,36);6-14,17-19H,5,15-16H2,1-4H3,(H2,31,32,34);6-12,15-18H,5,13-14H2,1-4H3,(H2,29,32,34);7-10,13-17H,11-12H2,1-6H3,(H2,28,29,32);8-9,12-17H,10-11H2,1-7H3,(H2,27,30,32);7-8,11-16H,9-10H2,1-6H3,(H2,27,30,32);7-8,11-16H,9-10H2,1-6H3,(H2,26,29,32)
InChIKeyNZGZZNZMLHWCNN-UHFFFAOYSA-N
MW4083.25 g/mol
LogP44.43
Rot. Bonds83

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

1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea (PubChem CID 159928122) has the molecular formula C221H267ClN38O37 and a molecular weight of 4083.25 g/mol. Its IUPAC name is 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea.

Molecular Properties

Compound Name1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
PubChem CID159928122
Molecular FormulaC221H267ClN38O37
Molecular Weight4083.25 g/mol
Exact Mass4079.99
IUPAC Name1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1cc(C)c(Oc2ccnc3cc(OC)c(OC)cc23)cc1C)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C)c1C)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1)c1cccc(C)c1.COc1cc(Oc2ncnc3cc(OC)c(OC)cc23)ccc1NC(=O)NCCN(C(C)C)C(C)C.COc1cc2nccc(Oc3ccc(NC(=O)NCCN(C(C)C)C(C)C)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NCCN(C(C)C)C(C)C)c(Cl)c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NCCN(C(C)C)C(C)C)c([N+](=O)[O-])c3)c2cc1OC
InChIInChI=1S/2C31H36N4O4.C29H32N4O4.C28H31N5O4.C26H33N5O6.C26H35N5O5.C25H32ClN5O4.C25H32N6O6/c1-7-35(23-10-8-9-20(2)15-23)14-13-33-31(36)34-25-16-22(4)28(17-21(25)3)39-27-11-12-32-26-19-30(38-6)29(37-5)18-24(26)27;1-7-35(23-10-8-9-20(2)17-23)16-15-33-31(36)34-25-11-12-27(22(4)21(25)3)39-28-13-14-32-26-19-30(38-6)29(37-5)18-24(26)28;1-5-33(22-8-6-7-20(2)17-22)16-15-31-29(34)32-21-9-11-23(12-10-21)37-26-13-14-30-25-19-28(36-4)27(35-3)18-24(25)26;1-5-33(21-8-6-7-19(2)15-21)14-13-29-28(34)32-20-9-11-22(12-10-20)37-27-23-16-25(35-3)26(36-4)17-24(23)30-18-31-27;1-16(2)30(17(3)4)12-11-28-26(32)29-20-8-7-18(13-22(20)31(33)34)37-23-9-10-27-21-15-25(36-6)24(35-5)14-19(21)23;1-16(2)31(17(3)4)11-10-27-26(32)30-20-9-8-18(12-22(20)33-5)36-25-19-13-23(34-6)24(35-7)14-21(19)28-15-29-25;1-15(2)31(16(3)4)10-9-27-25(32)30-20-8-7-17(11-19(20)26)35-24-18-12-22(33-5)23(34-6)13-21(18)28-14-29-24;1-15(2)30(16(3)4)10-9-26-25(32)29-19-8-7-17(11-21(19)31(33)34)37-24-18-12-22(35-5)23(36-6)13-20(18)27-14-28-24/h8-12,15-19H,7,13-14H2,1-6H3,(H2,33,34,36);8-14,17-19H,7,15-16H2,1-6H3,(H2,33,34,36);6-14,17-19H,5,15-16H2,1-4H3,(H2,31,32,34);6-12,15-18H,5,13-14H2,1-4H3,(H2,29,32,34);7-10,13-17H,11-12H2,1-6H3,(H2,28,29,32);8-9,12-17H,10-11H2,1-7H3,(H2,27,30,32);7-8,11-16H,9-10H2,1-6H3,(H2,27,30,32);7-8,11-16H,9-10H2,1-6H3,(H2,26,29,32)
InChIKeyNZGZZNZMLHWCNN-UHFFFAOYSA-N
XLogP44.43
TPSA826.67 Ų
H-Bond Donors16
H-Bond Acceptors57
Rotatable Bonds83
Heavy Atoms297
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004083.25
LogP ≤ 544.43
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The IUPAC name of 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea (CID 159928122) is 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-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-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The canonical SMILES for 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea is CCN(CCNC(=O)Nc1cc(C)c(Oc2ccnc3cc(OC)c(OC)cc23)cc1C)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C)c1C)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1)c1cccc(C)c1.CCN(CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1)c1cccc(C)c1.COc1cc(Oc2ncnc3cc(OC)c(OC)cc23)ccc1NC(=O)NCCN(C(C)C)C(C)C.COc1cc2nccc(Oc3ccc(NC(=O)NCCN(C(C)C)C(C)C)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NCCN(C(C)C)C(C)C)c(Cl)c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NCCN(C(C)C)C(C)C)c([N+](=O)[O-])c3)c2cc1OC.
What is the InChIKey of 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The InChIKey is NZGZZNZMLHWCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H36N4O4.C29H32N4O4.C28H31N5O4.C26H33N5O6.C26H35N5O5.C25H32ClN5O4.C25H32N6O6/c1-7-35(23-10-8-9-20(2)15-23)14-13-33-31(36)34-25-16-22(4)28(17-21(25)3)39-27-11-12-32-26-19-30(38-6)29(37-5)18-24(26)27;1-7-35(23-10-8-9-20(2)17-23)16-15-33-31(36)34-25-11-12-27(22(4)21(25)3)39-28-13-14-32-26-19-30(38-6)29(37-5)18-24(26)28;1-5-33(22-8-6-7-20(2)17-22)16-15-31-29(34)32-21-9-11-23(12-10-21)37-26-13-14-30-25-19-28(36-4)27(35-3)18-24(25)26;1-5-33(21-8-6-7-19(2)15-21)14-13-29-28(34)32-20-9-11-22(12-10-20)37-27-23-16-25(35-3)26(36-4)17-24(23)30-18-31-27;1-16(2)30(17(3)4)12-11-28-26(32)29-20-8-7-18(13-22(20)31(33)34)37-23-9-10-27-21-15-25(36-6)24(35-5)14-19(21)23;1-16(2)31(17(3)4)11-10-27-26(32)30-20-9-8-18(12-22(20)33-5)36-25-19-13-23(34-6)24(35-7)14-21(19)28-15-29-25;1-15(2)31(16(3)4)10-9-27-25(32)30-20-8-7-17(11-19(20)26)35-24-18-12-22(33-5)23(34-6)13-21(18)28-14-29-24;1-15(2)30(16(3)4)10-9-26-25(32)29-19-8-7-17(11-21(19)31(33)34)37-24-18-12-22(35-5)23(36-6)13-20(18)27-14-28-24/h8-12,15-19H,7,13-14H2,1-6H3,(H2,33,34,36);8-14,17-19H,7,15-16H2,1-6H3,(H2,33,34,36);6-14,17-19H,5,15-16H2,1-4H3,(H2,31,32,34);6-12,15-18H,5,13-14H2,1-4H3,(H2,29,32,34);7-10,13-17H,11-12H2,1-6H3,(H2,28,29,32);8-9,12-17H,10-11H2,1-7H3,(H2,27,30,32);7-8,11-16H,9-10H2,1-6H3,(H2,27,30,32);7-8,11-16H,9-10H2,1-6H3,(H2,26,29,32).
What are the key properties of 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea has a molecular weight of 4083.25 g/mol, XLogP of 44.43, 83 rotatable bonds, 16 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea is sourced from PubChem (CID 159928122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).