8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide

C123H77F15N16O7S — CID 158880530

IUPAC8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide
SMILESCc1ccc(-c2ccc3ncc4c(c3c2)N(c2cccc(C(F)(F)F)c2)C(=O)C4)cc1.Nc1ncc(-c2ccc3ncc4c(c3c2)N(c2cccc(C(F)(F)F)c2)C(=O)C4)cn1.O=C1Cc2cnc3ccc(-c4ccc5c(c4)N=CC5)cc3c2N1c1cccc(C(F)(F)F)c1.O=C1Cc2cnc3ccc(-c4ccncc4)cc3c2N1c1cccc(C(F)(F)F)c1.O=C1Cc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2N1c1cccc(C(F)(F)F)c1.O=S=O
InChIInChI=1S/C27H16F3N3O.C26H16F3N3O.C25H17F3N2O.C23H14F3N3O.C22H14F3N5O.O2S/c28-27(29,30)20-5-3-6-21(13-20)33-25(34)12-19-15-32-24-9-8-16(11-22(24)26(19)33)18-10-17-4-1-2-7-23(17)31-14-18;27-26(28,29)19-2-1-3-20(13-19)32-24(33)12-18-14-31-22-7-6-16(10-21(22)25(18)32)17-5-4-15-8-9-30-23(15)11-17;1-15-5-7-16(8-6-15)17-9-10-22-21(11-17)24-18(14-29-22)12-23(31)30(24)20-4-2-3-19(13-20)25(26,27)28;24-23(25,26)17-2-1-3-18(12-17)29-21(30)11-16-13-28-20-5-4-15(10-19(20)22(16)29)14-6-8-27-9-7-14;23-22(24,25)15-2-1-3-16(8-15)30-19(31)7-13-9-27-18-5-4-12(6-17(18)20(13)30)14-10-28-21(26)29-11-14;1-3-2/h1-11,13-15H,12H2;1-7,9-11,13-14H,8,12H2;2-11,13-14H,12H2,1H3;1-10,12-13H,11H2;1-6,8-11H,7H2,(H2,26,28,29);
InChIKeyJCYYUNOCBZOWAM-UHFFFAOYSA-N
MW2208.11 g/mol
LogP28.92
Rot. Bonds10

About 8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide

8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide (PubChem CID 158880530) has the molecular formula C123H77F15N16O7S and a molecular weight of 2208.11 g/mol. Its IUPAC name is 8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide.

Molecular Properties

Compound Name8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide
PubChem CID158880530
Molecular FormulaC123H77F15N16O7S
Molecular Weight2208.11 g/mol
Exact Mass2206.56
IUPAC Name8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide
SMILESCc1ccc(-c2ccc3ncc4c(c3c2)N(c2cccc(C(F)(F)F)c2)C(=O)C4)cc1.Nc1ncc(-c2ccc3ncc4c(c3c2)N(c2cccc(C(F)(F)F)c2)C(=O)C4)cn1.O=C1Cc2cnc3ccc(-c4ccc5c(c4)N=CC5)cc3c2N1c1cccc(C(F)(F)F)c1.O=C1Cc2cnc3ccc(-c4ccncc4)cc3c2N1c1cccc(C(F)(F)F)c1.O=C1Cc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2N1c1cccc(C(F)(F)F)c1.O=S=O
InChIInChI=1S/C27H16F3N3O.C26H16F3N3O.C25H17F3N2O.C23H14F3N3O.C22H14F3N5O.O2S/c28-27(29,30)20-5-3-6-21(13-20)33-25(34)12-19-15-32-24-9-8-16(11-22(24)26(19)33)18-10-17-4-1-2-7-23(17)31-14-18;27-26(28,29)19-2-1-3-20(13-19)32-24(33)12-18-14-31-22-7-6-16(10-21(22)25(18)32)17-5-4-15-8-9-30-23(15)11-17;1-15-5-7-16(8-6-15)17-9-10-22-21(11-17)24-18(14-29-22)12-23(31)30(24)20-4-2-3-19(13-20)25(26,27)28;24-23(25,26)17-2-1-3-18(12-17)29-21(30)11-16-13-28-20-5-4-15(10-19(20)22(16)29)14-6-8-27-9-7-14;23-22(24,25)15-2-1-3-16(8-15)30-19(31)7-13-9-27-18-5-4-12(6-17(18)20(13)30)14-10-28-21(26)29-11-14;1-3-2/h1-11,13-15H,12H2;1-7,9-11,13-14H,8,12H2;2-11,13-14H,12H2,1H3;1-10,12-13H,11H2;1-6,8-11H,7H2,(H2,26,28,29);
InChIKeyJCYYUNOCBZOWAM-UHFFFAOYSA-N
XLogP28.92
TPSA290.08 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002208.11
LogP ≤ 528.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide with MolForge

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Related Compounds

4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;2-[4-methyl-3-[(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157053327
5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-2-yl-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide
CID 157126353
5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 157130718
9-[3-[2,7-Bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(2,6-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-3-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole;9-[5-(2,6-difluorophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,6-difluorophenyl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-2-pyridinyl)carbazole
CID 157151693
1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one
CID 157259556
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide
CID 157294126
CID 157312334
CID 157312334
7-[(2-Chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(2,2,2-trifluoroethyl)benzimidazol-1-yl]methyl]quinoline-2-carboxamide
CID 157319707
5-benzyl-1-methyl-2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;5-benzyl-1-methyl-2-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-5-ium;4-N-methylpyridine-3,4-diamine;2-[4-[2-[1-methyl-2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-methyl-2-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridine;1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]acetaldehyde;5,5,5-trifluoro-1-[4-(methylamino)-3-pyridinyl]pentan-2-one;bromide
CID 157341880
9-[3-[2,7-Di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole
CID 157427510
5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 157493857
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;2-[4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157686479

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide?
The IUPAC name of 8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide (CID 158880530) is 8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide.
What is the SMILES notation for 8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide?
The canonical SMILES for 8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide is Cc1ccc(-c2ccc3ncc4c(c3c2)N(c2cccc(C(F)(F)F)c2)C(=O)C4)cc1.Nc1ncc(-c2ccc3ncc4c(c3c2)N(c2cccc(C(F)(F)F)c2)C(=O)C4)cn1.O=C1Cc2cnc3ccc(-c4ccc5c(c4)N=CC5)cc3c2N1c1cccc(C(F)(F)F)c1.O=C1Cc2cnc3ccc(-c4ccncc4)cc3c2N1c1cccc(C(F)(F)F)c1.O=C1Cc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2N1c1cccc(C(F)(F)F)c1.O=S=O.
What is the InChIKey of 8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide?
The InChIKey is JCYYUNOCBZOWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F3N3O.C26H16F3N3O.C25H17F3N2O.C23H14F3N3O.C22H14F3N5O.O2S/c28-27(29,30)20-5-3-6-21(13-20)33-25(34)12-19-15-32-24-9-8-16(11-22(24)26(19)33)18-10-17-4-1-2-7-23(17)31-14-18;27-26(28,29)19-2-1-3-20(13-19)32-24(33)12-18-14-31-22-7-6-16(10-21(22)25(18)32)17-5-4-15-8-9-30-23(15)11-17;1-15-5-7-16(8-6-15)17-9-10-22-21(11-17)24-18(14-29-22)12-23(31)30(24)20-4-2-3-19(13-20)25(26,27)28;24-23(25,26)17-2-1-3-18(12-17)29-21(30)11-16-13-28-20-5-4-15(10-19(20)22(16)29)14-6-8-27-9-7-14;23-22(24,25)15-2-1-3-16(8-15)30-19(31)7-13-9-27-18-5-4-12(6-17(18)20(13)30)14-10-28-21(26)29-11-14;1-3-2/h1-11,13-15H,12H2;1-7,9-11,13-14H,8,12H2;2-11,13-14H,12H2,1H3;1-10,12-13H,11H2;1-6,8-11H,7H2,(H2,26,28,29);.
What are the key properties of 8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide?
8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide has a molecular weight of 2208.11 g/mol, XLogP of 28.92, 10 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide is sourced from PubChem (CID 158880530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).