1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea

C240H254Cl3N41O40 — CID 159519978

IUPAC1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccc(C(C)(C)C)cc5)C4)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccc(C(C)(C)C)cc5)C4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5Cl)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccc(C(C)(C)C)cc5)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5Cl)C4)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5Cl)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)N[C@@H]4CCN(Cc5ccccc5)C4)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)N[C@H]4CCN(Cc5ccccc5C)C4)c([N+](=O)[O-])c3)c2cc1OC
InChIInChI=1S/C33H37N5O6.C33H38N4O4.C32H37N5O4.C29H29ClN4O4.C29H30N6O6.C28H27ClN6O6.C28H28ClN5O4.C28H28N6O6/c1-33(2,3)22-8-6-21(7-9-22)19-37-15-13-23(20-37)35-32(39)36-26-11-10-24(16-28(26)38(40)41)44-29-12-14-34-27-18-31(43-5)30(42-4)17-25(27)29;1-33(2,3)23-8-6-22(7-9-23)20-37-17-15-25(21-37)36-32(38)35-24-10-12-26(13-11-24)41-29-14-16-34-28-19-31(40-5)30(39-4)18-27(28)29;1-32(2,3)22-8-6-21(7-9-22)18-37-15-14-24(19-37)36-31(38)35-23-10-12-25(13-11-23)41-30-26-16-28(39-4)29(40-5)17-27(26)33-20-34-30;1-36-27-15-23-25(16-28(27)37-2)31-13-11-26(23)38-22-9-7-20(8-10-22)32-29(35)33-21-12-14-34(18-21)17-19-5-3-4-6-24(19)30;1-18-6-4-5-7-19(18)15-34-11-10-20(16-34)32-29(36)33-23-9-8-21(12-25(23)35(37)38)41-28-22-13-26(39-2)27(40-3)14-24(22)30-17-31-28;1-39-25-12-20-23(13-26(25)40-2)30-16-31-27(20)41-19-7-8-22(24(11-19)35(37)38)33-28(36)32-18-9-10-34(15-18)14-17-5-3-4-6-21(17)29;1-36-25-13-22-24(14-26(25)37-2)30-17-31-27(22)38-21-9-7-19(8-10-21)32-28(35)33-20-11-12-34(16-20)15-18-5-3-4-6-23(18)29;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/h6-12,14,16-18,23H,13,15,19-20H2,1-5H3,(H2,35,36,39);6-14,16,18-19,25H,15,17,20-21H2,1-5H3,(H2,35,36,38);6-13,16-17,20,24H,14-15,18-19H2,1-5H3,(H2,35,36,38);3-11,13,15-16,21H,12,14,17-18H2,1-2H3,(H2,32,33,35);4-9,12-14,17,20H,10-11,15-16H2,1-3H3,(H2,32,33,36);3-8,11-13,16,18H,9-10,14-15H2,1-2H3,(H2,32,33,36);3-10,13-14,17,20H,11-12,15-16H2,1-2H3,(H2,32,33,35);3-9,12-14,17,19H,10-11,15-16H2,1-2H3,(H2,31,32,35)/t;;;;20-;;;19-/m....0..1/s1
InChIKeyMBRLJKLQIVFEEQ-ZIMRVNOJSA-N
MW4459.28 g/mol
LogP46.29
Rot. Bonds68

About 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea

1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea (PubChem CID 159519978) has the molecular formula C240H254Cl3N41O40 and a molecular weight of 4459.28 g/mol. Its IUPAC name is 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea
PubChem CID159519978
Molecular FormulaC240H254Cl3N41O40
Molecular Weight4459.28 g/mol
Exact Mass4454.82
IUPAC Name1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccc(C(C)(C)C)cc5)C4)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccc(C(C)(C)C)cc5)C4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5Cl)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccc(C(C)(C)C)cc5)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5Cl)C4)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5Cl)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)N[C@@H]4CCN(Cc5ccccc5)C4)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)N[C@H]4CCN(Cc5ccccc5C)C4)c([N+](=O)[O-])c3)c2cc1OC
InChIInChI=1S/C33H37N5O6.C33H38N4O4.C32H37N5O4.C29H29ClN4O4.C29H30N6O6.C28H27ClN6O6.C28H28ClN5O4.C28H28N6O6/c1-33(2,3)22-8-6-21(7-9-22)19-37-15-13-23(20-37)35-32(39)36-26-11-10-24(16-28(26)38(40)41)44-29-12-14-34-27-18-31(43-5)30(42-4)17-25(27)29;1-33(2,3)23-8-6-22(7-9-23)20-37-17-15-25(21-37)36-32(38)35-24-10-12-26(13-11-24)41-29-14-16-34-28-19-31(40-5)30(39-4)18-27(28)29;1-32(2,3)22-8-6-21(7-9-22)18-37-15-14-24(19-37)36-31(38)35-23-10-12-25(13-11-23)41-30-26-16-28(39-4)29(40-5)17-27(26)33-20-34-30;1-36-27-15-23-25(16-28(27)37-2)31-13-11-26(23)38-22-9-7-20(8-10-22)32-29(35)33-21-12-14-34(18-21)17-19-5-3-4-6-24(19)30;1-18-6-4-5-7-19(18)15-34-11-10-20(16-34)32-29(36)33-23-9-8-21(12-25(23)35(37)38)41-28-22-13-26(39-2)27(40-3)14-24(22)30-17-31-28;1-39-25-12-20-23(13-26(25)40-2)30-16-31-27(20)41-19-7-8-22(24(11-19)35(37)38)33-28(36)32-18-9-10-34(15-18)14-17-5-3-4-6-21(17)29;1-36-25-13-22-24(14-26(25)37-2)30-17-31-27(22)38-21-9-7-19(8-10-21)32-28(35)33-20-11-12-34(16-20)15-18-5-3-4-6-23(18)29;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/h6-12,14,16-18,23H,13,15,19-20H2,1-5H3,(H2,35,36,39);6-14,16,18-19,25H,15,17,20-21H2,1-5H3,(H2,35,36,38);6-13,16-17,20,24H,14-15,18-19H2,1-5H3,(H2,35,36,38);3-11,13,15-16,21H,12,14,17-18H2,1-2H3,(H2,32,33,35);4-9,12-14,17,20H,10-11,15-16H2,1-3H3,(H2,32,33,36);3-8,11-13,16,18H,9-10,14-15H2,1-2H3,(H2,32,33,36);3-10,13-14,17,20H,11-12,15-16H2,1-2H3,(H2,32,33,35);3-9,12-14,17,19H,10-11,15-16H2,1-2H3,(H2,31,32,35)/t;;;;20-;;;19-/m....0..1/s1
InChIKeyMBRLJKLQIVFEEQ-ZIMRVNOJSA-N
XLogP46.29
TPSA916.61 Ų
H-Bond Donors16
H-Bond Acceptors61
Rotatable Bonds68
Heavy Atoms324
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004459.28
LogP ≤ 546.29
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1061

Analyze 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea?
The IUPAC name of 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea (CID 159519978) is 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea is COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccc(C(C)(C)C)cc5)C4)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccc(C(C)(C)C)cc5)C4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5Cl)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccc(C(C)(C)C)cc5)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5Cl)C4)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5Cl)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)N[C@@H]4CCN(Cc5ccccc5)C4)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)N[C@H]4CCN(Cc5ccccc5C)C4)c([N+](=O)[O-])c3)c2cc1OC.
What is the InChIKey of 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea?
The InChIKey is MBRLJKLQIVFEEQ-ZIMRVNOJSA-N. The full InChI is InChI=1S/C33H37N5O6.C33H38N4O4.C32H37N5O4.C29H29ClN4O4.C29H30N6O6.C28H27ClN6O6.C28H28ClN5O4.C28H28N6O6/c1-33(2,3)22-8-6-21(7-9-22)19-37-15-13-23(20-37)35-32(39)36-26-11-10-24(16-28(26)38(40)41)44-29-12-14-34-27-18-31(43-5)30(42-4)17-25(27)29;1-33(2,3)23-8-6-22(7-9-23)20-37-17-15-25(21-37)36-32(38)35-24-10-12-26(13-11-24)41-29-14-16-34-28-19-31(40-5)30(39-4)18-27(28)29;1-32(2,3)22-8-6-21(7-9-22)18-37-15-14-24(19-37)36-31(38)35-23-10-12-25(13-11-23)41-30-26-16-28(39-4)29(40-5)17-27(26)33-20-34-30;1-36-27-15-23-25(16-28(27)37-2)31-13-11-26(23)38-22-9-7-20(8-10-22)32-29(35)33-21-12-14-34(18-21)17-19-5-3-4-6-24(19)30;1-18-6-4-5-7-19(18)15-34-11-10-20(16-34)32-29(36)33-23-9-8-21(12-25(23)35(37)38)41-28-22-13-26(39-2)27(40-3)14-24(22)30-17-31-28;1-39-25-12-20-23(13-26(25)40-2)30-16-31-27(20)41-19-7-8-22(24(11-19)35(37)38)33-28(36)32-18-9-10-34(15-18)14-17-5-3-4-6-21(17)29;1-36-25-13-22-24(14-26(25)37-2)30-17-31-27(22)38-21-9-7-19(8-10-21)32-28(35)33-20-11-12-34(16-20)15-18-5-3-4-6-23(18)29;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/h6-12,14,16-18,23H,13,15,19-20H2,1-5H3,(H2,35,36,39);6-14,16,18-19,25H,15,17,20-21H2,1-5H3,(H2,35,36,38);6-13,16-17,20,24H,14-15,18-19H2,1-5H3,(H2,35,36,38);3-11,13,15-16,21H,12,14,17-18H2,1-2H3,(H2,32,33,35);4-9,12-14,17,20H,10-11,15-16H2,1-3H3,(H2,32,33,36);3-8,11-13,16,18H,9-10,14-15H2,1-2H3,(H2,32,33,36);3-10,13-14,17,20H,11-12,15-16H2,1-2H3,(H2,32,33,35);3-9,12-14,17,19H,10-11,15-16H2,1-2H3,(H2,31,32,35)/t;;;;20-;;;19-/m....0..1/s1.
What are the key properties of 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea?
1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea has a molecular weight of 4459.28 g/mol, XLogP of 46.29, 68 rotatable bonds, 16 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea is sourced from PubChem (CID 159519978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).