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

C150H125BBrCl8F10N10O17P5Pd — CID 157134545

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-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;piperidine;2,4,6-trichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;tetrakis(triphenylphosphane);urea
SMILESC1CCNCC1.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-c1ccc(C(=O)O)c(N)c1F.COc1cccc(F)c1B(O)O.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/4C18H15P.C15H7Cl3F2N2O.C15H9ClF2N2O3.C14H10ClF2NO3.C14H11F2NO3.C7H8BFO3.C7H5BrFNO2.C5H11N.CH4N2O.Cl3OP.Pd/c4*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;1-12-6-4-2-3-5(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;/h4*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);2-4,10-11H,1H3;1-2H,10H2,(H,11,12);6H,1-5H2;(H4,2,3,4);;
InChIKeyAJLVYJXTOQRFBL-UHFFFAOYSA-N
MW3165.31 g/mol
LogP32.62
Rot. Bonds25

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-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;piperidine;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;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 (PubChem CID 157134545) has the molecular formula C150H125BBrCl8F10N10O17P5Pd and a molecular weight of 3165.31 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-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;piperidine;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;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
PubChem CID157134545
Molecular FormulaC150H125BBrCl8F10N10O17P5Pd
Molecular Weight3165.31 g/mol
Exact Mass3158.36
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-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;piperidine;2,4,6-trichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;tetrakis(triphenylphosphane);urea
SMILESC1CCNCC1.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-c1ccc(C(=O)O)c(N)c1F.COc1cccc(F)c1B(O)O.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/4C18H15P.C15H7Cl3F2N2O.C15H9ClF2N2O3.C14H10ClF2NO3.C14H11F2NO3.C7H8BFO3.C7H5BrFNO2.C5H11N.CH4N2O.Cl3OP.Pd/c4*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;1-12-6-4-2-3-5(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;/h4*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);2-4,10-11H,1H3;1-2H,10H2,(H,11,12);6H,1-5H2;(H4,2,3,4);;
InChIKeyAJLVYJXTOQRFBL-UHFFFAOYSA-N
XLogP32.62
TPSA466.28 Ų
H-Bond Donors13
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003165.31
LogP ≤ 532.62
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;piperidine;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
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)-2,3-dihydro-1H-quinazolin-4-one;(2-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;piperidine;tetrakis(triphenylphosphane);urea
CID 157610336
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
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
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
2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;tert-butyl 4-[6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;deuterio(fluoro)methane;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;dimethyl(oxo)phosphanium;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate
CID 160862324
CID 161198611
CID 161198611
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;tert-butyl (2S,6R)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(2-fluoro-6-methoxyphenyl)boronic acid;methanimidamide;palladium;tetrakis(triphenylphosphane)
CID 161261832
2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;tert-butyl 4-[6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-(dimethylphosphorylmethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;deuterio(fluoro)methane;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;dimethyl(oxo)phosphanium;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate
CID 161481850
7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 4-[7-bromo-6-chloro-8-fluoro-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2-fluoro-6-hydroxyphenyl)boronic acid;2-morpholin-4-ylethanol;prop-2-enoyl chloride
CID 161607483

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-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;piperidine;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;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) 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-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;piperidine;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;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?
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-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;piperidine;2,4,6-trichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;tetrakis(triphenylphosphane);urea is C1CCNCC1.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-c1ccc(C(=O)O)c(N)c1F.COc1cccc(F)c1B(O)O.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;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?
The InChIKey is AJLVYJXTOQRFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.C15H7Cl3F2N2O.C15H9ClF2N2O3.C14H10ClF2NO3.C14H11F2NO3.C7H8BFO3.C7H5BrFNO2.C5H11N.CH4N2O.Cl3OP.Pd/c4*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;1-12-6-4-2-3-5(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;/h4*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);2-4,10-11H,1H3;1-2H,10H2,(H,11,12);6H,1-5H2;(H4,2,3,4);;.
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-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;piperidine;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;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 has a molecular weight of 3165.31 g/mol, XLogP of 32.62, 25 rotatable bonds, 13 hydrogen bond donors, and 20 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-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;piperidine;2,4,6-trichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;tetrakis(triphenylphosphane);urea is sourced from PubChem (CID 157134545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).