About 7-[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-4-(quinolin-7-yloxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]pyrrolo[2,3-d]pyrimidin-4-amine;[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methanol;7-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methoxy]quinoline;7-[(3aR,4R,6R,6aR)-4-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-4-chloropyrrolo[2,3-d]pyrimidine;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-2-(quinolin-7-yloxymethyl)oxolane-3,4-diol;methane;quinolin-7-ol
7-[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-4-(quinolin-7-yloxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]pyrrolo[2,3-d]pyrimidin-4-amine;[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methanol;7-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methoxy]quinoline;7-[(3aR,4R,6R,6aR)-4-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-4-chloropyrrolo[2,3-d]pyrimidine;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-2-(quinolin-7-yloxymethyl)oxolane-3,4-diol;methane;quinolin-7-ol (PubChem CID 157360056) has the molecular formula C112H126Cl3N21O20
and a molecular weight of 2192.73 g/mol. Its IUPAC name is 7-[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-4-(quinolin-7-yloxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]pyrrolo[2,3-d]pyrimidin-4-amine;[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methanol;7-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methoxy]quinoline;7-[(3aR,4R,6R,6aR)-4-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-4-chloropyrrolo[2,3-d]pyrimidine;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-2-(quinolin-7-yloxymethyl)oxolane-3,4-diol;methane;quinolin-7-ol.
Frequently Asked Questions
What is the IUPAC name of 7-[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-4-(quinolin-7-yloxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]pyrrolo[2,3-d]pyrimidin-4-amine;[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methanol;7-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methoxy]quinoline;7-[(3aR,4R,6R,6aR)-4-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-4-chloropyrrolo[2,3-d]pyrimidine;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-2-(quinolin-7-yloxymethyl)oxolane-3,4-diol;methane;quinolin-7-ol?
The IUPAC name of 7-[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-4-(quinolin-7-yloxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]pyrrolo[2,3-d]pyrimidin-4-amine;[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methanol;7-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methoxy]quinoline;7-[(3aR,4R,6R,6aR)-4-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-4-chloropyrrolo[2,3-d]pyrimidine;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-2-(quinolin-7-yloxymethyl)oxolane-3,4-diol;methane;quinolin-7-ol (CID 157360056) is 7-[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-4-(quinolin-7-yloxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]pyrrolo[2,3-d]pyrimidin-4-amine;[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methanol;7-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methoxy]quinoline;7-[(3aR,4R,6R,6aR)-4-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-4-chloropyrrolo[2,3-d]pyrimidine;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-2-(quinolin-7-yloxymethyl)oxolane-3,4-diol;methane;quinolin-7-ol.
What is the SMILES notation for 7-[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-4-(quinolin-7-yloxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]pyrrolo[2,3-d]pyrimidin-4-amine;[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methanol;7-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methoxy]quinoline;7-[(3aR,4R,6R,6aR)-4-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-4-chloropyrrolo[2,3-d]pyrimidine;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-2-(quinolin-7-yloxymethyl)oxolane-3,4-diol;methane;quinolin-7-ol?
The canonical SMILES for 7-[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-4-(quinolin-7-yloxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]pyrrolo[2,3-d]pyrimidin-4-amine;[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methanol;7-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methoxy]quinoline;7-[(3aR,4R,6R,6aR)-4-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-4-chloropyrrolo[2,3-d]pyrimidine;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-2-(quinolin-7-yloxymethyl)oxolane-3,4-diol;methane;quinolin-7-ol is C.C.C.CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](CO)[C@@]2(C)O1.CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](COc3ccc4cccnc4c3)[C@@]2(C)O1.CC1(C)O[C@H]2[C@H](n3ccc4c(N)ncnc43)O[C@H](COc3ccc4cccnc4c3)[C@@]2(C)O1.CC[C@H]1O[C@@H](n2ccc3c(Cl)ncnc32)[C@@H]2OC(C)(C)O[C@]12C.C[C@@]1(O)[C@@H](COc2ccc3cccnc3c2)O[C@@H](n2ccc3c(N)ncnc32)[C@@H]1O.Oc1ccc2cccnc2c1.
What is the InChIKey of 7-[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-4-(quinolin-7-yloxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]pyrrolo[2,3-d]pyrimidin-4-amine;[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methanol;7-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methoxy]quinoline;7-[(3aR,4R,6R,6aR)-4-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-4-chloropyrrolo[2,3-d]pyrimidine;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-2-(quinolin-7-yloxymethyl)oxolane-3,4-diol;methane;quinolin-7-ol?
The InChIKey is BINMZWALRUSBFG-NAKKXQHSSA-N. The full InChI is InChI=1S/C24H23ClN4O4.C24H25N5O4.C21H21N5O4.C16H20ClN3O3.C15H18ClN3O4.C9H7NO.3CH4/c2*1-23(2)32-19-22(29-10-8-16-20(25)27-13-28-21(16)29)31-18(24(19,3)33-23)12-30-15-7-6-14-5-4-9-26-17(14)11-15;1-21(28)16(10-29-13-5-4-12-3-2-7-23-15(12)9-13)30-20(17(21)27)26-8-6-14-18(22)24-11-25-19(14)26;1-5-10-16(4)11(22-15(2,3)23-16)14(21-10)20-7-6-9-12(17)18-8-19-13(9)20;1-14(2)22-10-13(21-9(6-20)15(10,3)23-14)19-5-4-8-11(16)17-7-18-12(8)19;11-8-4-3-7-2-1-5-10-9(7)6-8;;;/h4-11,13,18-19,22H,12H2,1-3H3;4-11,13,18-19,22H,12H2,1-3H3,(H2,25,27,28);2-9,11,16-17,20,27-28H,10H2,1H3,(H2,22,24,25);6-8,10-11,14H,5H2,1-4H3;4-5,7,9-10,13,20H,6H2,1-3H3;1-6,11H;3*1H4/t2*18-,19+,22-,24-;16-,17+,20-,21-;10-,11+,14-,16-;9-,10+,13-,15-;;;;/m11111..../s1.
What are the key properties of 7-[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-4-(quinolin-7-yloxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]pyrrolo[2,3-d]pyrimidin-4-amine;[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methanol;7-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methoxy]quinoline;7-[(3aR,4R,6R,6aR)-4-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-4-chloropyrrolo[2,3-d]pyrimidine;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-2-(quinolin-7-yloxymethyl)oxolane-3,4-diol;methane;quinolin-7-ol?
7-[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-4-(quinolin-7-yloxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]pyrrolo[2,3-d]pyrimidin-4-amine;[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methanol;7-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methoxy]quinoline;7-[(3aR,4R,6R,6aR)-4-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-4-chloropyrrolo[2,3-d]pyrimidine;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-2-(quinolin-7-yloxymethyl)oxolane-3,4-diol;methane;quinolin-7-ol has a molecular weight of 2192.73 g/mol, XLogP of 18.65, 16 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-4-(quinolin-7-yloxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]pyrrolo[2,3-d]pyrimidin-4-amine;[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methanol;7-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methoxy]quinoline;7-[(3aR,4R,6R,6aR)-4-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-4-chloropyrrolo[2,3-d]pyrimidine;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-2-(quinolin-7-yloxymethyl)oxolane-3,4-diol;methane;quinolin-7-ol is sourced from PubChem (CID 157360056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).