About 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea
1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea (PubChem CID 159653867) has the molecular formula C235H248Cl3N39O35
and a molecular weight of 4285.17 g/mol. Its IUPAC name is 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea.
Frequently Asked Questions
What is the IUPAC name of 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea?
The IUPAC name of 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea (CID 159653867) is 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea is COc1cc(Oc2ncnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC1CCN(Cc2ccccc2C)C1.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5C)C4)c(C)c3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5C)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5C)C4)c(Cl)c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5C)C4)c([N+](=O)[O-])c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5C)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)N[C@@H]4CCN(Cc5ccccc5)C4)c(Cl)c3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)N[C@H]4CCN(Cc5ccccc5)C4)c(Cl)c3)c2cc1OC.
What is the InChIKey of 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea?
The InChIKey is MRXRPMPZLUPNEP-SSYQZUHDSA-N. The full InChI is InChI=1S/C32H36N4O4.C30H33N5O5.C30H32N4O4.C29H30ClN5O4.C29H30N6O6.C29H31N5O4.2C28H28ClN5O4/c1-20-8-6-7-9-23(20)18-36-15-13-24(19-36)34-32(37)35-26-10-11-28(22(3)21(26)2)40-29-12-14-33-27-17-31(39-5)30(38-4)16-25(27)29;1-19-7-5-6-8-20(19)16-35-12-11-21(17-35)33-30(36)34-24-10-9-22(13-26(24)37-2)40-29-23-14-27(38-3)28(39-4)15-25(23)31-18-32-29;1-20-6-4-5-7-21(20)18-34-15-13-23(19-34)33-30(35)32-22-8-10-24(11-9-22)38-27-12-14-31-26-17-29(37-3)28(36-2)16-25(26)27;1-18-6-4-5-7-19(18)15-35-11-10-20(16-35)33-29(36)34-24-9-8-21(12-23(24)30)39-28-22-13-26(37-2)27(38-3)14-25(22)31-17-32-28;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;1-19-6-4-5-7-20(19)16-34-13-12-22(17-34)33-29(35)32-21-8-10-23(11-9-21)38-28-24-14-26(36-2)27(37-3)15-25(24)30-18-31-28;2*1-36-25-13-21-24(14-26(25)37-2)30-17-31-27(21)38-20-8-9-23(22(29)12-20)33-28(35)32-19-10-11-34(16-19)15-18-6-4-3-5-7-18/h6-12,14,16-17,24H,13,15,18-19H2,1-5H3,(H2,34,35,37);5-10,13-15,18,21H,11-12,16-17H2,1-4H3,(H2,33,34,36);4-12,14,16-17,23H,13,15,18-19H2,1-3H3,(H2,32,33,35);4-9,12-14,17,20H,10-11,15-16H2,1-3H3,(H2,33,34,36);4-9,12-14,17,20H,10-11,15-16H2,1-3H3,(H2,32,33,36);4-11,14-15,18,22H,12-13,16-17H2,1-3H3,(H2,32,33,35);2*3-9,12-14,17,19H,10-11,15-16H2,1-2H3,(H2,32,33,35)/t;;;;;;2*19-/m......10/s1.
What are the key properties of 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea?
1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea has a molecular weight of 4285.17 g/mol, XLogP of 44.24, 66 rotatable bonds, 16 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea is sourced from PubChem (CID 159653867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).