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

C214H187B2BrCl12F12N13O20P7Pd2 — CID 159810618

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;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
SMILESC1CCNCC1.C=CB1OC(C)(C)C(C)(C)O1.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(N3CCCCC3)nc(Cl)nc2c1F.COc1cccc(F)c1-c1ccc(C(=O)O)c(N)c1F.COc1cccc(F)c1B(O)O.Cl[Pd]Cl.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.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17Cl2F2N3O.6C18H15P.C15H7Cl3F2N2O.C15H9ClF2N2O3.C14H10ClF2NO3.C14H11F2NO3.C8H15BO2.C7H8BFO3.C7H5BrFNO2.C5H11N.CH4N2O.Cl3OP.2ClH.2Pd/c1-28-14-7-5-6-13(23)16(14)15-12(21)10-11-18(17(15)24)25-20(22)26-19(11)27-8-3-2-4-9-27;6*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;1-6-9-10-7(2,3)8(4,5)11-9;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;1-2-4-6-5-3-1;2-1(3)4;1-5(2,3)4;;;;/h5-7,10H,2-4,8-9H2,1H3;6*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);6H,1H2,2-5H3;2-4,10-11H,1H3;1-2H,10H2,(H,11,12);6H,1-5H2;(H4,2,3,4);;2*1H;;/q;;;;;;;;;;;;;;;;;;;;+2/p-2
InChIKeyNKYZAAMENANWFB-UHFFFAOYSA-L
MW4445.52 g/mol
LogP48.57
Rot. Bonds35

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;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

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 (PubChem CID 159810618) has the molecular formula C214H187B2BrCl12F12N13O20P7Pd2 and a molecular weight of 4445.52 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;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.

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;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
PubChem CID159810618
Molecular FormulaC214H187B2BrCl12F12N13O20P7Pd2
Molecular Weight4445.52 g/mol
Exact Mass4435.57
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;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
SMILESC1CCNCC1.C=CB1OC(C)(C)C(C)(C)O1.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(N3CCCCC3)nc(Cl)nc2c1F.COc1cccc(F)c1-c1ccc(C(=O)O)c(N)c1F.COc1cccc(F)c1B(O)O.Cl[Pd]Cl.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.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17Cl2F2N3O.6C18H15P.C15H7Cl3F2N2O.C15H9ClF2N2O3.C14H10ClF2NO3.C14H11F2NO3.C8H15BO2.C7H8BFO3.C7H5BrFNO2.C5H11N.CH4N2O.Cl3OP.2ClH.2Pd/c1-28-14-7-5-6-13(23)16(14)15-12(21)10-11-18(17(15)24)25-20(22)26-19(11)27-8-3-2-4-9-27;6*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;1-6-9-10-7(2,3)8(4,5)11-9;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;1-2-4-6-5-3-1;2-1(3)4;1-5(2,3)4;;;;/h5-7,10H,2-4,8-9H2,1H3;6*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);6H,1H2,2-5H3;2-4,10-11H,1H3;1-2H,10H2,(H,11,12);6H,1-5H2;(H4,2,3,4);;2*1H;;/q;;;;;;;;;;;;;;;;;;;;+2/p-2
InChIKeyNKYZAAMENANWFB-UHFFFAOYSA-L
XLogP48.57
TPSA522.99 Ų
H-Bond Donors13
H-Bond Acceptors26
Rotatable Bonds35
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004445.52
LogP ≤ 548.57
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1026

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;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 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
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
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
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

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;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?
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;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) 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;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.
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;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?
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;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 is C1CCNCC1.C=CB1OC(C)(C)C(C)(C)O1.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(N3CCCCC3)nc(Cl)nc2c1F.COc1cccc(F)c1-c1ccc(C(=O)O)c(N)c1F.COc1cccc(F)c1B(O)O.Cl[Pd]Cl.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.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;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?
The InChIKey is NKYZAAMENANWFB-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H17Cl2F2N3O.6C18H15P.C15H7Cl3F2N2O.C15H9ClF2N2O3.C14H10ClF2NO3.C14H11F2NO3.C8H15BO2.C7H8BFO3.C7H5BrFNO2.C5H11N.CH4N2O.Cl3OP.2ClH.2Pd/c1-28-14-7-5-6-13(23)16(14)15-12(21)10-11-18(17(15)24)25-20(22)26-19(11)27-8-3-2-4-9-27;6*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;1-6-9-10-7(2,3)8(4,5)11-9;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;1-2-4-6-5-3-1;2-1(3)4;1-5(2,3)4;;;;/h5-7,10H,2-4,8-9H2,1H3;6*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);6H,1H2,2-5H3;2-4,10-11H,1H3;1-2H,10H2,(H,11,12);6H,1-5H2;(H4,2,3,4);;2*1H;;/q;;;;;;;;;;;;;;;;;;;;+2/p-2.
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;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?
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 has a molecular weight of 4445.52 g/mol, XLogP of 48.57, 35 rotatable bonds, 13 hydrogen bond donors, and 26 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;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 is sourced from PubChem (CID 159810618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).