About (7S)-4-[3-(8-chloro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;4-[2-chloro-3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;4-[3-(8-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-9H-fluorene-1-carboxamide;(7S)-3-fluoro-4-[3-[8-fluoro-2,4-dioxo-1-(trideuteriomethyl)quinazolin-3-yl]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;methane
(7S)-4-[3-(8-chloro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;4-[2-chloro-3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;4-[3-(8-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-9H-fluorene-1-carboxamide;(7S)-3-fluoro-4-[3-[8-fluoro-2,4-dioxo-1-(trideuteriomethyl)quinazolin-3-yl]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;methane (PubChem CID 159208770) has the molecular formula C133H124Cl2F6N12O16
and a molecular weight of 2334.44 g/mol. Its IUPAC name is (7S)-4-[3-(8-chloro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;4-[2-chloro-3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;4-[3-(8-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-9H-fluorene-1-carboxamide;(7S)-3-fluoro-4-[3-[8-fluoro-2,4-dioxo-1-(trideuteriomethyl)quinazolin-3-yl]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;methane.
Frequently Asked Questions
What is the IUPAC name of (7S)-4-[3-(8-chloro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;4-[2-chloro-3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;4-[3-(8-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-9H-fluorene-1-carboxamide;(7S)-3-fluoro-4-[3-[8-fluoro-2,4-dioxo-1-(trideuteriomethyl)quinazolin-3-yl]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;methane?
The IUPAC name of (7S)-4-[3-(8-chloro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;4-[2-chloro-3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;4-[3-(8-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-9H-fluorene-1-carboxamide;(7S)-3-fluoro-4-[3-[8-fluoro-2,4-dioxo-1-(trideuteriomethyl)quinazolin-3-yl]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;methane (CID 159208770) is (7S)-4-[3-(8-chloro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;4-[2-chloro-3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;4-[3-(8-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-9H-fluorene-1-carboxamide;(7S)-3-fluoro-4-[3-[8-fluoro-2,4-dioxo-1-(trideuteriomethyl)quinazolin-3-yl]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;methane.
What is the SMILES notation for (7S)-4-[3-(8-chloro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;4-[2-chloro-3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;4-[3-(8-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-9H-fluorene-1-carboxamide;(7S)-3-fluoro-4-[3-[8-fluoro-2,4-dioxo-1-(trideuteriomethyl)quinazolin-3-yl]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;methane?
The canonical SMILES for (7S)-4-[3-(8-chloro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;4-[2-chloro-3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;4-[3-(8-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-9H-fluorene-1-carboxamide;(7S)-3-fluoro-4-[3-[8-fluoro-2,4-dioxo-1-(trideuteriomethyl)quinazolin-3-yl]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;methane is C.C.C.Cc1c(-c2c(F)cc(C(N)=O)c3c2C2=C(C3)C[C@@H](C(C)(C)O)CC2)cccc1-n1c(=O)[nH]c2c(Cl)cccc2c1=O.Cc1cc(C(N)=O)c2c(c1-c1cccc(-n3c(=O)[nH]c4c(F)cccc4c3=O)c1C)-c1ccc(C(C)(C)O)cc1C2.Cn1c(=O)n(-c2cccc(-c3c(F)cc(C(N)=O)c4c3-c3ccc(C(C)(C)O)cc3C4)c2Cl)c(=O)c2cccc(F)c21.[2H]C([2H])([2H])n1c(=O)n(-c2cccc(-c3c(F)cc(C(N)=O)c4c3C3=C(C4)C[C@@H](C(C)(C)O)CC3)c2C)c(=O)c2cccc(F)c21.
What is the InChIKey of (7S)-4-[3-(8-chloro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;4-[2-chloro-3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;4-[3-(8-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-9H-fluorene-1-carboxamide;(7S)-3-fluoro-4-[3-[8-fluoro-2,4-dioxo-1-(trideuteriomethyl)quinazolin-3-yl]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;methane?
The InChIKey is KQFKGACWICIYAD-GQUOOSQBSA-N. The full InChI is InChI=1S/C33H31F2N3O4.C33H28FN3O4.C32H24ClF2N3O4.C32H29ClFN3O4.3CH4/c1-16-19(7-6-10-26(16)38-31(40)21-8-5-9-24(34)29(21)37(4)32(38)41)28-25(35)15-23(30(36)39)22-14-17-13-18(33(2,3)42)11-12-20(17)27(22)28;1-16-13-24(30(35)38)23-15-18-14-19(33(3,4)41)11-12-21(18)28(23)27(16)20-7-6-10-26(17(20)2)37-31(39)22-8-5-9-25(34)29(22)36-32(37)40;1-32(2,42)16-10-11-17-15(12-16)13-20-21(29(36)39)14-23(35)26(25(17)20)18-6-5-9-24(27(18)33)38-30(40)19-7-4-8-22(34)28(19)37(3)31(38)41;1-15-18(6-5-9-25(15)37-30(39)20-7-4-8-23(33)28(20)36-31(37)40)27-24(34)14-22(29(35)38)21-13-16-12-17(32(2,3)41)10-11-19(16)26(21)27;;;/h5-10,15,18,42H,11-14H2,1-4H3,(H2,36,39);5-14,41H,15H2,1-4H3,(H2,35,38)(H,36,40);4-12,14,42H,13H2,1-3H3,(H2,36,39);4-9,14,17,41H,10-13H2,1-3H3,(H2,35,38)(H,36,40);3*1H4/t18-;;;17-;;;/m0..0.../s1/i4D3;;;;;;.
What are the key properties of (7S)-4-[3-(8-chloro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;4-[2-chloro-3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;4-[3-(8-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-9H-fluorene-1-carboxamide;(7S)-3-fluoro-4-[3-[8-fluoro-2,4-dioxo-1-(trideuteriomethyl)quinazolin-3-yl]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;methane?
(7S)-4-[3-(8-chloro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;4-[2-chloro-3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;4-[3-(8-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-9H-fluorene-1-carboxamide;(7S)-3-fluoro-4-[3-[8-fluoro-2,4-dioxo-1-(trideuteriomethyl)quinazolin-3-yl]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;methane has a molecular weight of 2334.44 g/mol, XLogP of 22.44, 17 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-[3-(8-chloro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;4-[2-chloro-3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;4-[3-(8-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-9H-fluorene-1-carboxamide;(7S)-3-fluoro-4-[3-[8-fluoro-2,4-dioxo-1-(trideuteriomethyl)quinazolin-3-yl]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-fluorene-1-carboxamide;methane is sourced from PubChem (CID 159208770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).