About 1-(bromomethyl)-4-iodobenzene;tert-butyl 7-[2-[[4-[(2S)-2-amino-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[(4-iodophenyl)methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,6-dichlorobenzoyl chloride;4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(iodomethyl)butanedioate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxymethyl]phenyl]propanoate
1-(bromomethyl)-4-iodobenzene;tert-butyl 7-[2-[[4-[(2S)-2-amino-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[(4-iodophenyl)methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,6-dichlorobenzoyl chloride;4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(iodomethyl)butanedioate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxymethyl]phenyl]propanoate (PubChem CID 162166398) has the molecular formula C200H224BrCl7I3N15O33
and a molecular weight of 4074.85 g/mol. Its IUPAC name is 1-(bromomethyl)-4-iodobenzene;tert-butyl 7-[2-[[4-[(2S)-2-amino-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[(4-iodophenyl)methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,6-dichlorobenzoyl chloride;4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(iodomethyl)butanedioate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxymethyl]phenyl]propanoate.
Frequently Asked Questions
What is the IUPAC name of 1-(bromomethyl)-4-iodobenzene;tert-butyl 7-[2-[[4-[(2S)-2-amino-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[(4-iodophenyl)methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,6-dichlorobenzoyl chloride;4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(iodomethyl)butanedioate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxymethyl]phenyl]propanoate?
The IUPAC name of 1-(bromomethyl)-4-iodobenzene;tert-butyl 7-[2-[[4-[(2S)-2-amino-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[(4-iodophenyl)methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,6-dichlorobenzoyl chloride;4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(iodomethyl)butanedioate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxymethyl]phenyl]propanoate (CID 162166398) is 1-(bromomethyl)-4-iodobenzene;tert-butyl 7-[2-[[4-[(2S)-2-amino-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[(4-iodophenyl)methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,6-dichlorobenzoyl chloride;4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(iodomethyl)butanedioate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxymethyl]phenyl]propanoate.
What is the SMILES notation for 1-(bromomethyl)-4-iodobenzene;tert-butyl 7-[2-[[4-[(2S)-2-amino-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[(4-iodophenyl)methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,6-dichlorobenzoyl chloride;4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(iodomethyl)butanedioate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxymethyl]phenyl]propanoate?
The canonical SMILES for 1-(bromomethyl)-4-iodobenzene;tert-butyl 7-[2-[[4-[(2S)-2-amino-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[(4-iodophenyl)methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,6-dichlorobenzoyl chloride;4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(iodomethyl)butanedioate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxymethyl]phenyl]propanoate is BrCc1ccc(I)cc1.CC(C)(C)OC(=O)N1CCCc2ccc(CCO)nc21.CC(C)(C)OC(=O)N1CCCc2ccc(CCOCc3ccc(I)cc3)nc21.COC(=O)[C@@H](N)Cc1ccc(COCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1.COC(=O)[C@H](CI)CC(=O)OCC1c2ccccc2-c2ccccc21.COC(=O)[C@H](Cc1ccc(COCCc2ccc3c(n2)CCCC3)cc1)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(COCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21.COC(=O)[C@H](Cc1ccc(COCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1)NC(=O)c1c(Cl)cccc1Cl.O=C(Cl)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(bromomethyl)-4-iodobenzene;tert-butyl 7-[2-[[4-[(2S)-2-amino-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[(4-iodophenyl)methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,6-dichlorobenzoyl chloride;4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(iodomethyl)butanedioate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxymethyl]phenyl]propanoate?
The InChIKey is ZNEOILPTNDMWSU-DBRMVNQKSA-N. The full InChI is InChI=1S/C41H45N3O7.C33H37Cl2N3O6.C29H30Cl2N2O4.C26H35N3O5.C22H27IN2O3.C20H19IO4.C15H22N2O3.C7H6BrI.C7H3Cl3O/c1-41(2,3)51-40(47)44-22-9-10-29-19-20-30(42-37(29)44)21-23-49-25-28-17-15-27(16-18-28)24-36(38(45)48-4)43-39(46)50-26-35-33-13-7-5-11-31(33)32-12-6-8-14-34(32)35;1-33(2,3)44-32(41)38-17-6-7-23-14-15-24(36-29(23)38)16-18-43-20-22-12-10-21(11-13-22)19-27(31(40)42-4)37-30(39)28-25(34)8-5-9-26(28)35;1-36-29(35)26(33-28(34)27-23(30)6-4-7-24(27)31)17-19-9-11-20(12-10-19)18-37-16-15-22-14-13-21-5-2-3-8-25(21)32-22;1-26(2,3)34-25(31)29-14-5-6-20-11-12-21(28-23(20)29)13-15-33-17-19-9-7-18(8-10-19)16-22(27)24(30)32-4;1-22(2,3)28-21(26)25-13-4-5-17-8-11-19(24-20(17)25)12-14-27-15-16-6-9-18(23)10-7-16;1-24-20(23)13(11-21)10-19(22)25-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18;1-15(2,3)20-14(19)17-9-4-5-11-6-7-12(8-10-18)16-13(11)17;8-5-6-1-3-7(9)4-2-6;8-4-2-1-3-5(9)6(4)7(10)11/h5-8,11-20,35-36H,9-10,21-26H2,1-4H3,(H,43,46);5,8-15,27H,6-7,16-20H2,1-4H3,(H,37,39);4,6-7,9-14,26H,2-3,5,8,15-18H2,1H3,(H,33,34);7-12,22H,5-6,13-17,27H2,1-4H3;6-11H,4-5,12-15H2,1-3H3;2-9,13,18H,10-12H2,1H3;6-7,18H,4-5,8-10H2,1-3H3;1-4H,5H2;1-3H/t36-;27-;26-;22-;;13-;;;/m0000.0.../s1.
What are the key properties of 1-(bromomethyl)-4-iodobenzene;tert-butyl 7-[2-[[4-[(2S)-2-amino-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[(4-iodophenyl)methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,6-dichlorobenzoyl chloride;4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(iodomethyl)butanedioate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxymethyl]phenyl]propanoate?
1-(bromomethyl)-4-iodobenzene;tert-butyl 7-[2-[[4-[(2S)-2-amino-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[(4-iodophenyl)methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,6-dichlorobenzoyl chloride;4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(iodomethyl)butanedioate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxymethyl]phenyl]propanoate has a molecular weight of 4074.85 g/mol, XLogP of 40.57, 54 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-iodobenzene;tert-butyl 7-[2-[[4-[(2S)-2-amino-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]phenyl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[(4-iodophenyl)methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,6-dichlorobenzoyl chloride;4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(iodomethyl)butanedioate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxymethyl]phenyl]propanoate is sourced from PubChem (CID 162166398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).