About acetonitrile;7-bromo-4-chloro-3-nitroquinoline;7-bromo-3-nitro-N-(2-phenylmethoxyethyl)quinolin-4-amine;7-bromo-4-N-(2-phenylmethoxyethyl)quinoline-3,4-diamine;tert-butyl N-[[4-amino-7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-5-oxido-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-5-ium-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[3-[7-bromo-4-(2-phenylmethoxyethylamino)quinolin-3-yl]-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;2-phenylmethoxyethanamine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
acetonitrile;7-bromo-4-chloro-3-nitroquinoline;7-bromo-3-nitro-N-(2-phenylmethoxyethyl)quinolin-4-amine;7-bromo-4-N-(2-phenylmethoxyethyl)quinoline-3,4-diamine;tert-butyl N-[[4-amino-7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-5-oxido-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-5-ium-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[3-[7-bromo-4-(2-phenylmethoxyethylamino)quinolin-3-yl]-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;2-phenylmethoxyethanamine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole (PubChem CID 158649121) has the molecular formula C186H223BBr7ClN28O27
and a molecular weight of 3888.59 g/mol. Its IUPAC name is acetonitrile;7-bromo-4-chloro-3-nitroquinoline;7-bromo-3-nitro-N-(2-phenylmethoxyethyl)quinolin-4-amine;7-bromo-4-N-(2-phenylmethoxyethyl)quinoline-3,4-diamine;tert-butyl N-[[4-amino-7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-5-oxido-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-5-ium-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[3-[7-bromo-4-(2-phenylmethoxyethylamino)quinolin-3-yl]-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;2-phenylmethoxyethanamine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole.
Frequently Asked Questions
What is the IUPAC name of acetonitrile;7-bromo-4-chloro-3-nitroquinoline;7-bromo-3-nitro-N-(2-phenylmethoxyethyl)quinolin-4-amine;7-bromo-4-N-(2-phenylmethoxyethyl)quinoline-3,4-diamine;tert-butyl N-[[4-amino-7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-5-oxido-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-5-ium-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[3-[7-bromo-4-(2-phenylmethoxyethylamino)quinolin-3-yl]-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;2-phenylmethoxyethanamine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole?
The IUPAC name of acetonitrile;7-bromo-4-chloro-3-nitroquinoline;7-bromo-3-nitro-N-(2-phenylmethoxyethyl)quinolin-4-amine;7-bromo-4-N-(2-phenylmethoxyethyl)quinoline-3,4-diamine;tert-butyl N-[[4-amino-7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-5-oxido-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-5-ium-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[3-[7-bromo-4-(2-phenylmethoxyethylamino)quinolin-3-yl]-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;2-phenylmethoxyethanamine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole (CID 158649121) is acetonitrile;7-bromo-4-chloro-3-nitroquinoline;7-bromo-3-nitro-N-(2-phenylmethoxyethyl)quinolin-4-amine;7-bromo-4-N-(2-phenylmethoxyethyl)quinoline-3,4-diamine;tert-butyl N-[[4-amino-7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-5-oxido-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-5-ium-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[3-[7-bromo-4-(2-phenylmethoxyethylamino)quinolin-3-yl]-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;2-phenylmethoxyethanamine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole.
What is the SMILES notation for acetonitrile;7-bromo-4-chloro-3-nitroquinoline;7-bromo-3-nitro-N-(2-phenylmethoxyethyl)quinolin-4-amine;7-bromo-4-N-(2-phenylmethoxyethyl)quinoline-3,4-diamine;tert-butyl N-[[4-amino-7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-5-oxido-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-5-ium-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[3-[7-bromo-4-(2-phenylmethoxyethylamino)quinolin-3-yl]-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;2-phenylmethoxyethanamine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole?
The canonical SMILES for acetonitrile;7-bromo-4-chloro-3-nitroquinoline;7-bromo-3-nitro-N-(2-phenylmethoxyethyl)quinolin-4-amine;7-bromo-4-N-(2-phenylmethoxyethyl)quinoline-3,4-diamine;tert-butyl N-[[4-amino-7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-5-oxido-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-5-ium-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[3-[7-bromo-4-(2-phenylmethoxyethylamino)quinolin-3-yl]-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;2-phenylmethoxyethanamine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole is C.C.CC#N.CC1(C)OB(C2=CC=NC2)OC1(C)C.CCN(CC(=O)Cc1cnc2cc(Br)ccc2c1NCCOCc1ccccc1)C(=O)OC(C)(C)C.CCN(CC(=O)O)C(=O)OC(C)(C)C.CCN(Cc1nc2c(N)nc3cc(Br)ccc3c2n1CCOCc1ccccc1)C(=O)OC(C)(C)C.CCN(Cc1nc2c[n+]([O-])c3cc(Br)ccc3c2n1CCOCc1ccccc1)C(=O)OC(C)(C)C.CCN(Cc1nc2cnc3cc(Br)ccc3c2n1CCOCc1ccccc1)C(=O)OC(C)(C)C.NCCOCc1ccccc1.Nc1cnc2cc(Br)ccc2c1NCCOCc1ccccc1.O=[N+]([O-])c1cnc2cc(Br)ccc2c1Cl.O=[N+]([O-])c1cnc2cc(Br)ccc2c1NCCOCc1ccccc1.
What is the InChIKey of acetonitrile;7-bromo-4-chloro-3-nitroquinoline;7-bromo-3-nitro-N-(2-phenylmethoxyethyl)quinolin-4-amine;7-bromo-4-N-(2-phenylmethoxyethyl)quinoline-3,4-diamine;tert-butyl N-[[4-amino-7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-5-oxido-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-5-ium-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[3-[7-bromo-4-(2-phenylmethoxyethylamino)quinolin-3-yl]-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;2-phenylmethoxyethanamine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole?
The InChIKey is GRLBVNZTZFQHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34BrN3O4.C27H32BrN5O3.C27H31BrN4O4.C27H31BrN4O3.C18H16BrN3O3.C18H18BrN3O.C10H16BNO2.C9H4BrClN2O2.C9H17NO4.C9H13NO.C2H3N.2CH4/c1-5-32(27(34)36-28(2,3)4)18-23(33)15-21-17-31-25-16-22(29)11-12-24(25)26(21)30-13-14-35-19-20-9-7-6-8-10-20;1-5-32(26(34)36-27(2,3)4)16-22-31-23-24(20-12-11-19(28)15-21(20)30-25(23)29)33(22)13-14-35-17-18-9-7-6-8-10-18;1-5-30(26(33)36-27(2,3)4)17-24-29-22-16-32(34)23-15-20(28)11-12-21(23)25(22)31(24)13-14-35-18-19-9-7-6-8-10-19;1-5-31(26(33)35-27(2,3)4)17-24-30-23-16-29-22-15-20(28)11-12-21(22)25(23)32(24)13-14-34-18-19-9-7-6-8-10-19;19-14-6-7-15-16(10-14)21-11-17(22(23)24)18(15)20-8-9-25-12-13-4-2-1-3-5-13;19-14-6-7-15-17(10-14)22-11-16(20)18(15)21-8-9-23-12-13-4-2-1-3-5-13;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8;10-5-1-2-6-7(3-5)12-4-8(9(6)11)13(14)15;1-5-10(6-7(11)12)8(13)14-9(2,3)4;10-6-7-11-8-9-4-2-1-3-5-9;1-2-3;;/h6-12,16-17H,5,13-15,18-19H2,1-4H3,(H,30,31);6-12,15H,5,13-14,16-17H2,1-4H3,(H2,29,30);6-12,15-16H,5,13-14,17-18H2,1-4H3;6-12,15-16H,5,13-14,17-18H2,1-4H3;1-7,10-11H,8-9,12H2,(H,20,21);1-7,10-11H,8-9,12,20H2,(H,21,22);5-6H,7H2,1-4H3;1-4H;5-6H2,1-4H3,(H,11,12);1-5H,6-8,10H2;1H3;2*1H4.
What are the key properties of acetonitrile;7-bromo-4-chloro-3-nitroquinoline;7-bromo-3-nitro-N-(2-phenylmethoxyethyl)quinolin-4-amine;7-bromo-4-N-(2-phenylmethoxyethyl)quinoline-3,4-diamine;tert-butyl N-[[4-amino-7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-5-oxido-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-5-ium-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[3-[7-bromo-4-(2-phenylmethoxyethylamino)quinolin-3-yl]-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;2-phenylmethoxyethanamine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole?
acetonitrile;7-bromo-4-chloro-3-nitroquinoline;7-bromo-3-nitro-N-(2-phenylmethoxyethyl)quinolin-4-amine;7-bromo-4-N-(2-phenylmethoxyethyl)quinoline-3,4-diamine;tert-butyl N-[[4-amino-7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-5-oxido-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-5-ium-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[3-[7-bromo-4-(2-phenylmethoxyethylamino)quinolin-3-yl]-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;2-phenylmethoxyethanamine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole has a molecular weight of 3888.59 g/mol, XLogP of 42.00, 57 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;7-bromo-4-chloro-3-nitroquinoline;7-bromo-3-nitro-N-(2-phenylmethoxyethyl)quinolin-4-amine;7-bromo-4-N-(2-phenylmethoxyethyl)quinoline-3,4-diamine;tert-butyl N-[[4-amino-7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-5-oxido-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-5-ium-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[3-[7-bromo-4-(2-phenylmethoxyethylamino)quinolin-3-yl]-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[7-bromo-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;2-phenylmethoxyethanamine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole is sourced from PubChem (CID 158649121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).