disodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane)

C185H189B2Br6Cl6F18N19Na2O23P4Pd — CID 161229779

IUPACdisodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane)
SMILESBrB(Br)Br.C=CC(=O)Cl.CC(=O)O.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Br)c(Cl)c(C(F)(F)F)c23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCC(=O)N1CCN(c2ncnc3cc(-c4c(F)cccc4OC)c(Cl)c(C(F)(F)F)c23)CC1.CCOCCO.COC(=O)c1c(N)cc(Br)c(Cl)c1C(F)(F)F.COc1cccc(F)c1-c1cc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2c(C(F)(F)F)c1Cl.COc1cccc(F)c1B(O)O.O=CO[O-].O=c1[nH]cnc2cc(Br)c(Cl)c(C(F)(F)F)c12.[2H]CC.[H-].[H]/N=C/N.[Na+].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25ClF4N4O3.C23H21ClF4N4O2.C18H19BrClF3N4O2.4C18H15P.C9H3BrClF3N2O.C9H6BrClF3NO2.C9H18N2O2.C7H8BFO3.C4H10O2.C3H3ClO.C2H4O2.C2H6.CH4N2.CH2O3.BBr3.2Na.Pd.H/c1-24(2,3)37-23(35)34-10-8-33(9-11-34)22-19-16(31-13-32-22)12-14(21(26)20(19)25(28,29)30)18-15(27)6-5-7-17(18)36-4;1-3-17(33)31-7-9-32(10-8-31)22-19-15(29-12-30-22)11-13(21(24)20(19)23(26,27)28)18-14(25)5-4-6-16(18)34-2;1-17(2,3)29-16(28)27-6-4-26(5-7-27)15-12-11(24-9-25-15)8-10(19)14(20)13(12)18(21,22)23;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;10-3-1-4-5(8(17)16-2-15-4)6(7(3)11)9(12,13)14;1-17-8(16)5-4(15)2-3(10)7(11)6(5)9(12,13)14;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-12-6-4-2-3-5(9)7(6)8(10)11;1-2-6-4-3-5;1-2-3(4)5;1-2(3)4;1-2;2-1-3;2-1-4-3;2-1(3)4;;;;/h5-7,12-13H,8-11H2,1-4H3;4-6,11-12H,3,7-10H2,1-2H3;8-9H,4-7H2,1-3H3;4*1-15H;1-2H,(H,15,16,17);2H,15H2,1H3;10H,4-7H2,1-3H3;2-4,10-11H,1H3;5H,2-4H2,1H3;2H,1H2;1H3,(H,3,4);1-2H3;1H,(H3,2,3);1,3H;;;;;/q;;;;;;;;;;;;;;;;;;2*+1;;-1/p-1/i;;;;;;;;;;;;;;1D;;;;;;;
InChIKeyDGYHFSCOULXBJK-ZVLINNQTSA-M
MW4379.69 g/mol
LogP33.77
Rot. Bonds28

About disodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane)

disodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane) (PubChem CID 161229779) has the molecular formula C185H189B2Br6Cl6F18N19Na2O23P4Pd and a molecular weight of 4379.69 g/mol. Its IUPAC name is disodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namedisodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane)
PubChem CID161229779
Molecular FormulaC185H189B2Br6Cl6F18N19Na2O23P4Pd
Molecular Weight4379.69 g/mol
Exact Mass4368.52
IUPAC Namedisodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane)
SMILESBrB(Br)Br.C=CC(=O)Cl.CC(=O)O.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Br)c(Cl)c(C(F)(F)F)c23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCC(=O)N1CCN(c2ncnc3cc(-c4c(F)cccc4OC)c(Cl)c(C(F)(F)F)c23)CC1.CCOCCO.COC(=O)c1c(N)cc(Br)c(Cl)c1C(F)(F)F.COc1cccc(F)c1-c1cc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2c(C(F)(F)F)c1Cl.COc1cccc(F)c1B(O)O.O=CO[O-].O=c1[nH]cnc2cc(Br)c(Cl)c(C(F)(F)F)c12.[2H]CC.[H-].[H]/N=C/N.[Na+].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25ClF4N4O3.C23H21ClF4N4O2.C18H19BrClF3N4O2.4C18H15P.C9H3BrClF3N2O.C9H6BrClF3NO2.C9H18N2O2.C7H8BFO3.C4H10O2.C3H3ClO.C2H4O2.C2H6.CH4N2.CH2O3.BBr3.2Na.Pd.H/c1-24(2,3)37-23(35)34-10-8-33(9-11-34)22-19-16(31-13-32-22)12-14(21(26)20(19)25(28,29)30)18-15(27)6-5-7-17(18)36-4;1-3-17(33)31-7-9-32(10-8-31)22-19-15(29-12-30-22)11-13(21(24)20(19)23(26,27)28)18-14(25)5-4-6-16(18)34-2;1-17(2,3)29-16(28)27-6-4-26(5-7-27)15-12-11(24-9-25-15)8-10(19)14(20)13(12)18(21,22)23;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;10-3-1-4-5(8(17)16-2-15-4)6(7(3)11)9(12,13)14;1-17-8(16)5-4(15)2-3(10)7(11)6(5)9(12,13)14;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-12-6-4-2-3-5(9)7(6)8(10)11;1-2-6-4-3-5;1-2-3(4)5;1-2(3)4;1-2;2-1-3;2-1-4-3;2-1(3)4;;;;/h5-7,12-13H,8-11H2,1-4H3;4-6,11-12H,3,7-10H2,1-2H3;8-9H,4-7H2,1-3H3;4*1-15H;1-2H,(H,15,16,17);2H,15H2,1H3;10H,4-7H2,1-3H3;2-4,10-11H,1H3;5H,2-4H2,1H3;2H,1H2;1H3,(H,3,4);1-2H3;1H,(H3,2,3);1,3H;;;;;/q;;;;;;;;;;;;;;;;;;2*+1;;-1/p-1/i;;;;;;;;;;;;;;1D;;;;;;;
InChIKeyDGYHFSCOULXBJK-ZVLINNQTSA-M
XLogP33.77
TPSA557.30 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004379.69
LogP ≤ 533.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Analyze disodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-methoxyphenyl)boronic acid;prop-2-enoyl chloride;tribromoborane
CID 159075189
acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;prop-2-enoyl chloride;tribromoborane
CID 159716704
7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydroperoxyethene;methane;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;prop-2-enoyl chloride;tribromoborane
CID 167658236
acetic acid;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;7-bromo-6-chloro-8-fluoro-3H-quinazolin-4-one;7-bromo-4,6-dichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2,3-difluoro-6-hydroxyphenyl)-8-fluoroquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2,3-difluoro-6-hydroxyphenyl)-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;deuterio(fluoro)methane;(2,3-difluoro-6-hydroxyphenyl)boronic acid;ethanol;methane;methanimidamide;prop-2-enoic acid;thionyl dichloride
CID 157138744
2-amino-4-bromo-3-fluorobenzoic acid;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-amino-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;tert-butyl (3S)-4-[2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-1H-quinazoline-2,4-dione;N,N-dimethylazetidin-3-amine;(2-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;propan-2-ol;2,4,6-trichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;tetrakis(triphenylphosphane);urea
CID 157771516
acetic acid;6-amino-4-bromo-3-chloro-2-fluorobenzoic acid;7-bromo-6-chloro-5-fluoro-3H-quinazolin-4-one;tert-butyl 4-(7-bromo-6-chloro-5-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-5-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-5-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-5-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;ethanol;(2-fluoro-6-methoxyphenyl)boronic acid;methanimidamide;prop-2-enoyl chloride;tribromoborane
CID 157808853
2-amino-4-bromo-3-fluorobenzoic acid;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-amino-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;tert-butyl (3S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-1H-quinazoline-2,4-dione;N,N-dimethylazetidin-3-amine;(2-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;propan-2-ol;2,4,6-trichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;tetrakis(triphenylphosphane);urea
CID 158451735
acetic acid;2-amino-4-bromo-3-fluorobenzoic acid;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-amino-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;6-chloro-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(3S,5R)-3,5-dimethylpiperidine;(2-fluoro-6-methoxyphenyl)boronic acid;methanimidamide;palladium;tetrakis(triphenylphosphane)
CID 158850805
lithium;disodium;acetic acid;6-amino-4-bromo-3-chloro-2-fluorobenzoic acid;2-amino-4-bromo-6-fluorobenzoic acid;7-bromo-6-chloro-5-fluoro-3H-quinazolin-4-one;tert-butyl 4-(7-bromo-6-chloro-5-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;deuterio(fluoro)methane;ethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methane;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-fluorobenzoate;methyl 2-amino-4-bromo-6-fluorobenzoate;oxido formate;palladium;propan-2-ol;tetrakis(triphenylphosphane);hydroxide
CID 159018604
lithium;acetic acid;6-amino-4-bromo-3-chloro-2-fluorobenzoic acid;7-bromo-6-chloro-5-fluoro-3H-quinazolin-4-one;tert-butyl 4-(7-bromo-6-chloro-5-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-5-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-5-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;ethanol;(2-fluoro-6-methoxyphenyl)boronic acid;methane;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-fluorobenzoate;methyl 2-amino-4-bromo-6-fluorobenzoate;propan-2-ol;prop-2-enoyl chloride;tribromoborane;hydroxide
CID 159502149
2-amino-4-bromo-3-fluorobenzoic acid;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-amino-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-1H-quinazoline-2,4-dione;2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;dichloropalladium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;piperidine;2,4,6-trichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;hexakis(triphenylphosphane);urea
CID 159810618
acetic acid;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;7-bromo-6-chloro-8-fluoro-3H-quinazolin-4-one;7-bromo-4,6-dichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2,3-difluoro-6-hydroxyphenyl)-8-fluoroquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2,3-difluoro-6-hydroxyphenyl)-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;deuterio(fluoro)methane;(2,3-difluoro-6-hydroxyphenyl)boronic acid;ethanol;methanimidamide;prop-2-enoic acid;thionyl dichloride
CID 161255416

Frequently Asked Questions

What is the IUPAC name of disodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane)?
The IUPAC name of disodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane) (CID 161229779) is disodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane).
What is the SMILES notation for disodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane)?
The canonical SMILES for disodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane) is BrB(Br)Br.C=CC(=O)Cl.CC(=O)O.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Br)c(Cl)c(C(F)(F)F)c23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCC(=O)N1CCN(c2ncnc3cc(-c4c(F)cccc4OC)c(Cl)c(C(F)(F)F)c23)CC1.CCOCCO.COC(=O)c1c(N)cc(Br)c(Cl)c1C(F)(F)F.COc1cccc(F)c1-c1cc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2c(C(F)(F)F)c1Cl.COc1cccc(F)c1B(O)O.O=CO[O-].O=c1[nH]cnc2cc(Br)c(Cl)c(C(F)(F)F)c12.[2H]CC.[H-].[H]/N=C/N.[Na+].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of disodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane)?
The InChIKey is DGYHFSCOULXBJK-ZVLINNQTSA-M. The full InChI is InChI=1S/C25H25ClF4N4O3.C23H21ClF4N4O2.C18H19BrClF3N4O2.4C18H15P.C9H3BrClF3N2O.C9H6BrClF3NO2.C9H18N2O2.C7H8BFO3.C4H10O2.C3H3ClO.C2H4O2.C2H6.CH4N2.CH2O3.BBr3.2Na.Pd.H/c1-24(2,3)37-23(35)34-10-8-33(9-11-34)22-19-16(31-13-32-22)12-14(21(26)20(19)25(28,29)30)18-15(27)6-5-7-17(18)36-4;1-3-17(33)31-7-9-32(10-8-31)22-19-15(29-12-30-22)11-13(21(24)20(19)23(26,27)28)18-14(25)5-4-6-16(18)34-2;1-17(2,3)29-16(28)27-6-4-26(5-7-27)15-12-11(24-9-25-15)8-10(19)14(20)13(12)18(21,22)23;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;10-3-1-4-5(8(17)16-2-15-4)6(7(3)11)9(12,13)14;1-17-8(16)5-4(15)2-3(10)7(11)6(5)9(12,13)14;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-12-6-4-2-3-5(9)7(6)8(10)11;1-2-6-4-3-5;1-2-3(4)5;1-2(3)4;1-2;2-1-3;2-1-4-3;2-1(3)4;;;;/h5-7,12-13H,8-11H2,1-4H3;4-6,11-12H,3,7-10H2,1-2H3;8-9H,4-7H2,1-3H3;4*1-15H;1-2H,(H,15,16,17);2H,15H2,1H3;10H,4-7H2,1-3H3;2-4,10-11H,1H3;5H,2-4H2,1H3;2H,1H2;1H3,(H,3,4);1-2H3;1H,(H3,2,3);1,3H;;;;;/q;;;;;;;;;;;;;;;;;;2*+1;;-1/p-1/i;;;;;;;;;;;;;;1D;;;;;;;.
What are the key properties of disodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane)?
disodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane) has a molecular weight of 4379.69 g/mol, XLogP of 33.77, 28 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;acetic acid;7-bromo-6-chloro-5-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;deuterioethane;2-ethoxyethanol;(2-fluoro-6-methoxyphenyl)boronic acid;hydride;methanimidamide;methyl 6-amino-4-bromo-3-chloro-2-(trifluoromethyl)benzoate;oxido formate;palladium;prop-2-enoyl chloride;tribromoborane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 161229779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).