About 3-chloro-1-[(1R,5S)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]quinoxalin-2-one;3-chloro-1-[(1R,5S)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one;methane
3-chloro-1-[(1R,5S)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]quinoxalin-2-one;3-chloro-1-[(1R,5S)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one;methane (PubChem CID 159913870) has the molecular formula C49H64Cl2N6O2
and a molecular weight of 840.00 g/mol. Its IUPAC name is 3-chloro-1-[(1R,5S)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]quinoxalin-2-one;3-chloro-1-[(1R,5S)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one;methane.
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Frequently Asked Questions
What is the IUPAC name of 3-chloro-1-[(1R,5S)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]quinoxalin-2-one;3-chloro-1-[(1R,5S)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one;methane?
The IUPAC name of 3-chloro-1-[(1R,5S)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]quinoxalin-2-one;3-chloro-1-[(1R,5S)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one;methane (CID 159913870) is 3-chloro-1-[(1R,5S)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]quinoxalin-2-one;3-chloro-1-[(1R,5S)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one;methane.
What is the SMILES notation for 3-chloro-1-[(1R,5S)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]quinoxalin-2-one;3-chloro-1-[(1R,5S)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one;methane?
The canonical SMILES for 3-chloro-1-[(1R,5S)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]quinoxalin-2-one;3-chloro-1-[(1R,5S)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one;methane is C.O=c1c(Cl)nc2ccccc2n1C1C[C@H]2CCC[C@@H](C1)N2C1CCCCCCC1.O=c1c(Cl)nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2C12CC3CC(CC1C3)C2.
What is the InChIKey of 3-chloro-1-[(1R,5S)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]quinoxalin-2-one;3-chloro-1-[(1R,5S)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one;methane?
The InChIKey is NXNJLTMISUUWRB-GZWVIRQHSA-N. The full InChI is InChI=1S/C24H28ClN3O.C24H32ClN3O.CH4/c25-22-23(29)27(21-4-2-1-3-20(21)26-22)19-10-17-5-6-18(11-19)28(17)24-12-14-7-15(13-24)9-16(24)8-14;25-23-24(29)28(22-14-7-6-13-21(22)26-23)20-15-18-11-8-12-19(16-20)27(18)17-9-4-2-1-3-5-10-17;/h1-4,14-19H,5-13H2;6-7,13-14,17-20H,1-5,8-12,15-16H2;1H4/t14?,15?,16?,17-,18+,19?,24?;18-,19+,20?;.
What are the key properties of 3-chloro-1-[(1R,5S)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]quinoxalin-2-one;3-chloro-1-[(1R,5S)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one;methane?
3-chloro-1-[(1R,5S)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]quinoxalin-2-one;3-chloro-1-[(1R,5S)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one;methane has a molecular weight of 840.00 g/mol, XLogP of 11.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(1R,5S)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]quinoxalin-2-one;3-chloro-1-[(1R,5S)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one;methane is sourced from PubChem (CID 159913870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).