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

C218H217BBrCl11F14N23O26P5Pd — CID 158451735

IUPAC2-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
SMILESCC(C)O.CN(C)C1CNC1.COc1cccc(F)c1-c1c(Cl)cc(C(=O)O)c(N)c1F.COc1cccc(F)c1-c1c(Cl)cc2c(=O)[nH]c(=O)[nH]c2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(Cl)nc(Cl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc(Cl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc(N3CC(N(C)C)C3)nc2c1F.COc1cccc(F)c1-c1ccc(C(=O)O)c(N)c1F.COc1cccc(F)c1B(O)O.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.NC(N)=O.Nc1c(C(=O)O)ccc(Br)c1F.O=P(Cl)(Cl)Cl.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H37ClF2N6O3.C25H26Cl2F2N4O3.4C18H15P.C15H7Cl3F2N2O.C15H9ClF2N2O3.C14H10ClF2NO3.C14H11F2NO3.C10H20N2O2.C7H8BFO3.C7H5BrFNO2.C5H12N2.C3H8O.CH4N2O.Cl3OP.Pd/c1-17-14-37(29(40)42-30(2,3)4)11-12-39(17)27-19-13-20(31)23(24-21(32)9-8-10-22(24)41-7)25(33)26(19)34-28(35-27)38-15-18(16-38)36(5)6;1-13-12-32(24(34)36-25(2,3)4)9-10-33(13)22-14-11-15(26)18(20(29)21(14)30-23(27)31-22)19-16(28)7-6-8-17(19)35-5;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-23-9-4-2-3-8(19)11(9)10-7(16)5-6-13(12(10)20)21-15(18)22-14(6)17;1-23-9-4-2-3-8(17)11(9)10-7(16)5-6-13(12(10)18)19-15(22)20-14(6)21;1-21-9-4-2-3-8(16)11(9)10-7(15)5-6(14(19)20)13(18)12(10)17;1-20-10-4-2-3-9(15)11(10)7-5-6-8(14(18)19)13(17)12(7)16;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-12-6-4-2-3-5(9)7(6)8(10)11;8-4-2-1-3(7(11)12)6(10)5(4)9;1-7(2)5-3-6-4-5;1-3(2)4;2-1(3)4;1-5(2,3)4;/h8-10,13,17-18H,11-12,14-16H2,1-7H3;6-8,11,13H,9-10,12H2,1-5H3;4*1-15H;2-5H,1H3;2-5H,1H3,(H2,19,20,21,22);2-5H,18H2,1H3,(H,19,20);2-6H,17H2,1H3,(H,18,19);8,11H,5-7H2,1-4H3;2-4,10-11H,1H3;1-2H,10H2,(H,11,12);5-6H,3-4H2,1-2H3;3-4H,1-2H3;(H4,2,3,4);;/t17-;13-;;;;;;;;;8-;;;;;;;/m00........0......./s1
InChIKeyHEBURJRNYWPKMZ-MQJIODSQSA-N
MW4583.23 g/mol
LogP44.75
Rot. Bonds34

About 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

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 (PubChem CID 158451735) has the molecular formula C218H217BBrCl11F14N23O26P5Pd and a molecular weight of 4583.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158451735
Molecular FormulaC218H217BBrCl11F14N23O26P5Pd
Molecular Weight4583.23 g/mol
Exact Mass4573.97
IUPAC Name2-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
SMILESCC(C)O.CN(C)C1CNC1.COc1cccc(F)c1-c1c(Cl)cc(C(=O)O)c(N)c1F.COc1cccc(F)c1-c1c(Cl)cc2c(=O)[nH]c(=O)[nH]c2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(Cl)nc(Cl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc(Cl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc(N3CC(N(C)C)C3)nc2c1F.COc1cccc(F)c1-c1ccc(C(=O)O)c(N)c1F.COc1cccc(F)c1B(O)O.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.NC(N)=O.Nc1c(C(=O)O)ccc(Br)c1F.O=P(Cl)(Cl)Cl.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H37ClF2N6O3.C25H26Cl2F2N4O3.4C18H15P.C15H7Cl3F2N2O.C15H9ClF2N2O3.C14H10ClF2NO3.C14H11F2NO3.C10H20N2O2.C7H8BFO3.C7H5BrFNO2.C5H12N2.C3H8O.CH4N2O.Cl3OP.Pd/c1-17-14-37(29(40)42-30(2,3)4)11-12-39(17)27-19-13-20(31)23(24-21(32)9-8-10-22(24)41-7)25(33)26(19)34-28(35-27)38-15-18(16-38)36(5)6;1-13-12-32(24(34)36-25(2,3)4)9-10-33(13)22-14-11-15(26)18(20(29)21(14)30-23(27)31-22)19-16(28)7-6-8-17(19)35-5;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-23-9-4-2-3-8(19)11(9)10-7(16)5-6-13(12(10)20)21-15(18)22-14(6)17;1-23-9-4-2-3-8(17)11(9)10-7(16)5-6-13(12(10)18)19-15(22)20-14(6)21;1-21-9-4-2-3-8(16)11(9)10-7(15)5-6(14(19)20)13(18)12(10)17;1-20-10-4-2-3-9(15)11(10)7-5-6-8(14(18)19)13(17)12(7)16;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-12-6-4-2-3-5(9)7(6)8(10)11;8-4-2-1-3(7(11)12)6(10)5(4)9;1-7(2)5-3-6-4-5;1-3(2)4;2-1(3)4;1-5(2,3)4;/h8-10,13,17-18H,11-12,14-16H2,1-7H3;6-8,11,13H,9-10,12H2,1-5H3;4*1-15H;2-5H,1H3;2-5H,1H3,(H2,19,20,21,22);2-5H,18H2,1H3,(H,19,20);2-6H,17H2,1H3,(H,18,19);8,11H,5-7H2,1-4H3;2-4,10-11H,1H3;1-2H,10H2,(H,11,12);5-6H,3-4H2,1-2H3;3-4H,1-2H3;(H4,2,3,4);;/t17-;13-;;;;;;;;;8-;;;;;;;/m00........0......./s1
InChIKeyHEBURJRNYWPKMZ-MQJIODSQSA-N
XLogP44.75
TPSA673.38 Ų
H-Bond Donors15
H-Bond Acceptors39
Rotatable Bonds34
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004583.23
LogP ≤ 544.75
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1039

Analyze 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 with MolForge

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Related Compounds

2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;7-bromo-6-chloro-8-fluoro-2-(trifluoromethyl)-3H-quinazolin-4-one;tert-butyl 4-[7-bromo-6-chloro-8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[6-chloro-8-fluoro-4-piperidin-1-yl-2-(trifluoromethyl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-hydroxyphenyl)boronic acid;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetamide
CID 158233152
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
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
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-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;piperidine;2,4,6-trichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;tetrakis(triphenylphosphane);urea
CID 157134545
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-bromo-1-fluoro-3-methoxybenzene;tert-butyl (3R)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-(6-chloro-8-fluoroquinazolin-4-yl)-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;6-chloro-8-fluoro-3H-quinazolin-4-one;4,6-dichloro-8-fluoroquinazoline;phosphoryl trichloride
CID 157724140
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-bromo-1-fluoro-3-methoxybenzene;1-[(3S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;6-chloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;6-chloro-8-fluoro-3H-quinazolin-4-one;(2S)-2-methylpiperidine
CID 158222120
sodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide
CID 158402501
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;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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)O.CN(C)C1CNC1.COc1cccc(F)c1-c1c(Cl)cc(C(=O)O)c(N)c1F.COc1cccc(F)c1-c1c(Cl)cc2c(=O)[nH]c(=O)[nH]c2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(Cl)nc(Cl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc(Cl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc(N3CC(N(C)C)C3)nc2c1F.COc1cccc(F)c1-c1ccc(C(=O)O)c(N)c1F.COc1cccc(F)c1B(O)O.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.NC(N)=O.Nc1c(C(=O)O)ccc(Br)c1F.O=P(Cl)(Cl)Cl.[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 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?
The InChIKey is HEBURJRNYWPKMZ-MQJIODSQSA-N. The full InChI is InChI=1S/C30H37ClF2N6O3.C25H26Cl2F2N4O3.4C18H15P.C15H7Cl3F2N2O.C15H9ClF2N2O3.C14H10ClF2NO3.C14H11F2NO3.C10H20N2O2.C7H8BFO3.C7H5BrFNO2.C5H12N2.C3H8O.CH4N2O.Cl3OP.Pd/c1-17-14-37(29(40)42-30(2,3)4)11-12-39(17)27-19-13-20(31)23(24-21(32)9-8-10-22(24)41-7)25(33)26(19)34-28(35-27)38-15-18(16-38)36(5)6;1-13-12-32(24(34)36-25(2,3)4)9-10-33(13)22-14-11-15(26)18(20(29)21(14)30-23(27)31-22)19-16(28)7-6-8-17(19)35-5;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-23-9-4-2-3-8(19)11(9)10-7(16)5-6-13(12(10)20)21-15(18)22-14(6)17;1-23-9-4-2-3-8(17)11(9)10-7(16)5-6-13(12(10)18)19-15(22)20-14(6)21;1-21-9-4-2-3-8(16)11(9)10-7(15)5-6(14(19)20)13(18)12(10)17;1-20-10-4-2-3-9(15)11(10)7-5-6-8(14(18)19)13(17)12(7)16;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-12-6-4-2-3-5(9)7(6)8(10)11;8-4-2-1-3(7(11)12)6(10)5(4)9;1-7(2)5-3-6-4-5;1-3(2)4;2-1(3)4;1-5(2,3)4;/h8-10,13,17-18H,11-12,14-16H2,1-7H3;6-8,11,13H,9-10,12H2,1-5H3;4*1-15H;2-5H,1H3;2-5H,1H3,(H2,19,20,21,22);2-5H,18H2,1H3,(H,19,20);2-6H,17H2,1H3,(H,18,19);8,11H,5-7H2,1-4H3;2-4,10-11H,1H3;1-2H,10H2,(H,11,12);5-6H,3-4H2,1-2H3;3-4H,1-2H3;(H4,2,3,4);;/t17-;13-;;;;;;;;;8-;;;;;;;/m00........0......./s1.
What are the key properties of 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?
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 has a molecular weight of 4583.23 g/mol, XLogP of 44.75, 34 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158451735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).