About acetyl chloride;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-bromo-3H-indole;(2S)-6-bromo-2-methyl-5-(1-prop-2-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;3-bromoprop-1-ene;2-bromo-1-prop-2-enylbenzimidazole;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(Z)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(E)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1-prop-1-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
acetyl chloride;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-bromo-3H-indole;(2S)-6-bromo-2-methyl-5-(1-prop-2-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;3-bromoprop-1-ene;2-bromo-1-prop-2-enylbenzimidazole;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(Z)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(E)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1-prop-1-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 159580398) has the molecular formula C149H161BBr5ClN24O11
and a molecular weight of 2909.87 g/mol. Its IUPAC name is acetyl chloride;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-bromo-3H-indole;(2S)-6-bromo-2-methyl-5-(1-prop-2-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;3-bromoprop-1-ene;2-bromo-1-prop-2-enylbenzimidazole;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(Z)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(E)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1-prop-1-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
Frequently Asked Questions
What is the IUPAC name of acetyl chloride;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-bromo-3H-indole;(2S)-6-bromo-2-methyl-5-(1-prop-2-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;3-bromoprop-1-ene;2-bromo-1-prop-2-enylbenzimidazole;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(Z)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(E)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1-prop-1-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The IUPAC name of acetyl chloride;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-bromo-3H-indole;(2S)-6-bromo-2-methyl-5-(1-prop-2-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;3-bromoprop-1-ene;2-bromo-1-prop-2-enylbenzimidazole;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(Z)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(E)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1-prop-1-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 159580398) is acetyl chloride;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-bromo-3H-indole;(2S)-6-bromo-2-methyl-5-(1-prop-2-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;3-bromoprop-1-ene;2-bromo-1-prop-2-enylbenzimidazole;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(Z)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(E)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1-prop-1-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
What is the SMILES notation for acetyl chloride;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-bromo-3H-indole;(2S)-6-bromo-2-methyl-5-(1-prop-2-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;3-bromoprop-1-ene;2-bromo-1-prop-2-enylbenzimidazole;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(Z)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(E)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1-prop-1-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The canonical SMILES for acetyl chloride;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-bromo-3H-indole;(2S)-6-bromo-2-methyl-5-(1-prop-2-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;3-bromoprop-1-ene;2-bromo-1-prop-2-enylbenzimidazole;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(Z)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(E)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1-prop-1-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is BrC1=Nc2ccccc2C1.C/C=C/n1c(Oc2c(-c3cnn(C4CC4)c3)ccc3c2CC[C@H](C)N3C(C)=O)nc2ccccc21.C/C=C\n1c(Oc2c(-c3cnn(C4CC4)c3)ccc3c2CC[C@H](C)N3C(C)=O)nc2ccccc21.C=CCBr.C=CCn1c(Br)nc2ccccc21.C=CCn1c(Oc2c(Br)ccc3c2CC[C@H](C)N3)nc2ccccc21.CC(=O)Cl.CC(=O)N1c2ccc(Br)c(O)c2CC[C@@H]1C.CC1(C)OB(c2cnn(C3CC3)c2)OC1(C)C.CC=Cn1c(Oc2c(-c3cnn(C4CC4)c3)ccc3c2CC[C@H](C)N3)nc2ccccc21.
What is the InChIKey of acetyl chloride;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-bromo-3H-indole;(2S)-6-bromo-2-methyl-5-(1-prop-2-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;3-bromoprop-1-ene;2-bromo-1-prop-2-enylbenzimidazole;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(Z)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(E)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1-prop-1-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The InChIKey is MIYDHILAFLSVEA-SQVNSRRRSA-N. The full InChI is InChI=1S/2C28H29N5O2.C26H27N5O.C20H20BrN3O.C12H19BN2O2.C12H14BrNO2.C10H9BrN2.C8H6BrN.C3H5Br.C2H3ClO/c2*1-4-15-31-26-8-6-5-7-24(26)30-28(31)35-27-22(20-16-29-32(17-20)21-10-11-21)13-14-25-23(27)12-9-18(2)33(25)19(3)34;1-3-14-30-24-7-5-4-6-23(24)29-26(30)32-25-20(18-15-27-31(16-18)19-9-10-19)12-13-22-21(25)11-8-17(2)28-22;1-3-12-24-18-7-5-4-6-17(18)23-20(24)25-19-14-9-8-13(2)22-16(14)11-10-15(19)21;1-11(2)12(3,4)17-13(16-11)9-7-14-15(8-9)10-5-6-10;1-7-3-4-9-11(14(7)8(2)15)6-5-10(13)12(9)16;1-2-7-13-9-6-4-3-5-8(9)12-10(13)11;9-8-5-6-3-1-2-4-7(6)10-8;1-2-3-4;1-2(3)4/h2*4-8,13-18,21H,9-12H2,1-3H3;3-7,12-17,19,28H,8-11H2,1-2H3;3-7,10-11,13,22H,1,8-9,12H2,2H3;7-8,10H,5-6H2,1-4H3;5-7,16H,3-4H2,1-2H3;2-6H,1,7H2;1-4H,5H2;2H,1,3H2;1H3/b15-4+;15-4-;;;;;;;;/t2*18-;17-;13-;;7-;;;;/m0000.0..../s1.
What are the key properties of acetyl chloride;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-bromo-3H-indole;(2S)-6-bromo-2-methyl-5-(1-prop-2-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;3-bromoprop-1-ene;2-bromo-1-prop-2-enylbenzimidazole;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(Z)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(E)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1-prop-1-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
acetyl chloride;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-bromo-3H-indole;(2S)-6-bromo-2-methyl-5-(1-prop-2-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;3-bromoprop-1-ene;2-bromo-1-prop-2-enylbenzimidazole;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(Z)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(E)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1-prop-1-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 2909.87 g/mol, XLogP of 36.55, 24 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-bromo-3H-indole;(2S)-6-bromo-2-methyl-5-(1-prop-2-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;3-bromoprop-1-ene;2-bromo-1-prop-2-enylbenzimidazole;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(Z)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[1-[(E)-prop-1-enyl]benzimidazol-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1-prop-1-enylbenzimidazol-2-yl)oxy-1,2,3,4-tetrahydroquinoline;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 159580398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).