6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one

C121H80F20N16O9 — CID 159317258

IUPAC6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one
SMILESCc1cc(F)c(Cn2cnc(=O)c3cc(Oc4cccc(-c5ccc6nonc6c5)c4C(F)(F)F)ccc32)c(F)c1.Cc1cc(F)c(Cn2cnc(=O)c3cc(Oc4cccc(-c5cccc6[nH]ccc56)c4C(F)(F)F)ccc32)c(F)c1.Cc1cc(F)c(Cn2cnc(=O)c3cc(Oc4cccc(-c5cnn(-c6ccccc6)c5C)c4C(F)(F)F)ccc32)c(F)c1.Cc1cc(F)c([C@@H](C)n2cnc(=O)c3cc(Oc4cccc(-c5ncc(N)cn5)c4C(F)(F)F)ccc32)c(F)c1
InChIInChI=1S/C33H23F5N4O2.C31H20F5N3O2.C29H17F5N4O3.C28H20F5N5O2/c1-19-13-27(34)26(28(35)14-19)17-41-18-39-32(43)24-15-22(11-12-29(24)41)44-30-10-6-9-23(31(30)33(36,37)38)25-16-40-42(20(25)2)21-7-4-3-5-8-21;1-17-12-24(32)23(25(33)13-17)15-39-16-38-30(40)22-14-18(8-9-27(22)39)41-28-7-3-5-21(29(28)31(34,35)36)19-4-2-6-26-20(19)10-11-37-26;1-15-9-21(30)20(22(31)10-15)13-38-14-35-28(39)19-12-17(6-8-25(19)38)40-26-4-2-3-18(27(26)29(32,33)34)16-5-7-23-24(11-16)37-41-36-23;1-14-8-20(29)24(21(30)9-14)15(2)38-13-37-27(39)19-10-17(6-7-22(19)38)40-23-5-3-4-18(25(23)28(31,32)33)26-35-11-16(34)12-36-26/h3-16,18H,17H2,1-2H3;2-14,16,37H,15H2,1H3;2-12,14H,13H2,1H3;3-13,15H,34H2,1-2H3/t;;;15-/m...1/s1
InChIKeyLDHIWPAYNCWRFC-HKLCZZMFSA-N
MW2282.03 g/mol
LogP29.48
Rot. Bonds21

About 6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one

6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one (PubChem CID 159317258) has the molecular formula C121H80F20N16O9 and a molecular weight of 2282.03 g/mol. Its IUPAC name is 6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one.

Molecular Properties

Compound Name6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one
PubChem CID159317258
Molecular FormulaC121H80F20N16O9
Molecular Weight2282.03 g/mol
Exact Mass2280.60
IUPAC Name6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one
SMILESCc1cc(F)c(Cn2cnc(=O)c3cc(Oc4cccc(-c5ccc6nonc6c5)c4C(F)(F)F)ccc32)c(F)c1.Cc1cc(F)c(Cn2cnc(=O)c3cc(Oc4cccc(-c5cccc6[nH]ccc56)c4C(F)(F)F)ccc32)c(F)c1.Cc1cc(F)c(Cn2cnc(=O)c3cc(Oc4cccc(-c5cnn(-c6ccccc6)c5C)c4C(F)(F)F)ccc32)c(F)c1.Cc1cc(F)c([C@@H](C)n2cnc(=O)c3cc(Oc4cccc(-c5ncc(N)cn5)c4C(F)(F)F)ccc32)c(F)c1
InChIInChI=1S/C33H23F5N4O2.C31H20F5N3O2.C29H17F5N4O3.C28H20F5N5O2/c1-19-13-27(34)26(28(35)14-19)17-41-18-39-32(43)24-15-22(11-12-29(24)41)44-30-10-6-9-23(31(30)33(36,37)38)25-16-40-42(20(25)2)21-7-4-3-5-8-21;1-17-12-24(32)23(25(33)13-17)15-39-16-38-30(40)22-14-18(8-9-27(22)39)41-28-7-3-5-21(29(28)31(34,35)36)19-4-2-6-26-20(19)10-11-37-26;1-15-9-21(30)20(22(31)10-15)13-38-14-35-28(39)19-12-17(6-8-25(19)38)40-26-4-2-3-18(27(26)29(32,33)34)16-5-7-23-24(11-16)37-41-36-23;1-14-8-20(29)24(21(30)9-14)15(2)38-13-37-27(39)19-10-17(6-7-22(19)38)40-23-5-3-4-18(25(23)28(31,32)33)26-35-11-16(34)12-36-26/h3-16,18H,17H2,1-2H3;2-14,16,37H,15H2,1H3;2-12,14H,13H2,1H3;3-13,15H,34H2,1-2H3/t;;;15-/m...1/s1
InChIKeyLDHIWPAYNCWRFC-HKLCZZMFSA-N
XLogP29.48
TPSA300.81 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002282.03
LogP ≤ 529.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one with MolForge

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Related Compounds

(5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione
CID 160868295
N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide
CID 167555498
3-[2-(1-benzofuran-2-yl)-3-(2,1,3-benzoxadiazol-4-yl)-6-(1H-imidazol-2-yl)-4-(1H-indazol-3-yl)phenyl]-1H-benzimidazol-2-one
CID 141220961
4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 157316086
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-fluoro-6-methyl-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 157328788
4-[4-(benzimidazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-4-pyridinyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 157380444
3,5-dimethyl-4-(2-methylidene-8-propan-2-yloxy-3,5-dihydroimidazo[4,5-c]quinolin-7-yl)-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-methylidene-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole;3,5-dimethyl-4-[2-(oxan-4-yl)-8-propan-2-yloxy-3H-imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]-8-propan-2-yloxy-1H-imidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-propan-2-yloxy-3-propyl-1H-imidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-propan-2-yloxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-pyrrolo[3,2-c]quinolin-2-one;2-methylpropane
CID 158211939
4-[4-(benzimidazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 158433430
(5R)-5-[[5-(2,1,3-benzoxadiazol-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-1-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione
CID 158837532
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 158866382
4-[4-(benzimidazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 159092129
4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperazin-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 159145143

Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one?
The IUPAC name of 6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one (CID 159317258) is 6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one.
What is the SMILES notation for 6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one?
The canonical SMILES for 6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one is Cc1cc(F)c(Cn2cnc(=O)c3cc(Oc4cccc(-c5ccc6nonc6c5)c4C(F)(F)F)ccc32)c(F)c1.Cc1cc(F)c(Cn2cnc(=O)c3cc(Oc4cccc(-c5cccc6[nH]ccc56)c4C(F)(F)F)ccc32)c(F)c1.Cc1cc(F)c(Cn2cnc(=O)c3cc(Oc4cccc(-c5cnn(-c6ccccc6)c5C)c4C(F)(F)F)ccc32)c(F)c1.Cc1cc(F)c([C@@H](C)n2cnc(=O)c3cc(Oc4cccc(-c5ncc(N)cn5)c4C(F)(F)F)ccc32)c(F)c1.
What is the InChIKey of 6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one?
The InChIKey is LDHIWPAYNCWRFC-HKLCZZMFSA-N. The full InChI is InChI=1S/C33H23F5N4O2.C31H20F5N3O2.C29H17F5N4O3.C28H20F5N5O2/c1-19-13-27(34)26(28(35)14-19)17-41-18-39-32(43)24-15-22(11-12-29(24)41)44-30-10-6-9-23(31(30)33(36,37)38)25-16-40-42(20(25)2)21-7-4-3-5-8-21;1-17-12-24(32)23(25(33)13-17)15-39-16-38-30(40)22-14-18(8-9-27(22)39)41-28-7-3-5-21(29(28)31(34,35)36)19-4-2-6-26-20(19)10-11-37-26;1-15-9-21(30)20(22(31)10-15)13-38-14-35-28(39)19-12-17(6-8-25(19)38)40-26-4-2-3-18(27(26)29(32,33)34)16-5-7-23-24(11-16)37-41-36-23;1-14-8-20(29)24(21(30)9-14)15(2)38-13-37-27(39)19-10-17(6-7-22(19)38)40-23-5-3-4-18(25(23)28(31,32)33)26-35-11-16(34)12-36-26/h3-16,18H,17H2,1-2H3;2-14,16,37H,15H2,1H3;2-12,14H,13H2,1H3;3-13,15H,34H2,1-2H3/t;;;15-/m...1/s1.
What are the key properties of 6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one?
6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one has a molecular weight of 2282.03 g/mol, XLogP of 29.48, 21 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-aminopyrimidin-2-yl)-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;6-[3-(2,1,3-benzoxadiazol-5-yl)-2-(trifluoromethyl)phenoxy]-1-[(2,6-difluoro-4-methylphenyl)methyl]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(1H-indol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;1-[(2,6-difluoro-4-methylphenyl)methyl]-6-[3-(5-methyl-1-phenylpyrazol-4-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one is sourced from PubChem (CID 159317258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).