About 2-(1,3-benzodioxol-5-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid
2-(1,3-benzodioxol-5-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid (PubChem CID 158239976) has the molecular formula C129H100ClF2N15O22
and a molecular weight of 2285.75 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid (CID 158239976) is 2-(1,3-benzodioxol-5-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid is COc1ccc2c(c1)N(c1nc3cc(C(=O)O)ccc3nc1-c1ccc3c(c1)OCCO3)CCC2.COc1ccc2c(c1)N(c1nc3cc(C(=O)O)ccc3nc1-c1ccc3c(c1)OCO3)CCC2.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCCO4)c(N3CCCc4ccc(F)cc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCO4)c(N3CCCc4ccc(Cl)cc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCO4)c(N3CCCc4ccc(F)cc43)nc2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid?
The InChIKey is GFKSMRLMBQPTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O5.C26H20FN3O4.C26H21N3O5.C25H18ClN3O4.C25H18FN3O4/c1-33-19-7-4-16-3-2-10-30(22(16)15-19)26-25(17-6-9-23-24(14-17)35-12-11-34-23)28-20-8-5-18(27(31)32)13-21(20)29-26;27-18-6-3-15-2-1-9-30(21(15)14-18)25-24(16-5-8-22-23(13-16)34-11-10-33-22)28-19-7-4-17(26(31)32)12-20(19)29-25;1-32-18-7-4-15-3-2-10-29(21(15)13-18)25-24(16-6-9-22-23(12-16)34-14-33-22)27-19-8-5-17(26(30)31)11-20(19)28-25;2*26-17-6-3-14-2-1-9-29(20(14)12-17)24-23(15-5-8-21-22(11-15)33-13-32-21)27-18-7-4-16(25(30)31)10-19(18)28-24/h4-9,13-15H,2-3,10-12H2,1H3,(H,31,32);3-8,12-14H,1-2,9-11H2,(H,31,32);4-9,11-13H,2-3,10,14H2,1H3,(H,30,31);2*3-8,10-12H,1-2,9,13H2,(H,30,31).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid?
2-(1,3-benzodioxol-5-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid has a molecular weight of 2285.75 g/mol, XLogP of 25.07, 17 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 158239976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).