2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;N-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-piperidin-1-ylquinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;methane;palladium;prop-2-enoyl chloride;tetrakis(triphenylphosphane);urea

C172H178Br5Cl10F6N27O10P4Pd — CID 158415994

About 2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;N-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-piperidin-1-ylquinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;methane;palladium;prop-2-enoyl chloride;tetrakis(triphenylphosphane);urea

2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;N-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-piperidin-1-ylquinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;methane;palladium;prop-2-enoyl chloride;tetrakis(triphenylphosphane);urea (PubChem CID 158415994) has the molecular formula C172H178Br5Cl10F6N27O10P4Pd and a molecular weight of 3881.85 g/mol. Its IUPAC name is 2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;N-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-piperidin-1-ylquinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;methane;palladium;prop-2-enoyl chloride;tetrakis(triphenylphosphane);urea.

Molecular Properties

• Compound Name: 2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;N-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-piperidin-1-ylquinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;methane;palladium;prop-2-enoyl chloride;tetrakis(triphenylphosphane);urea
• PubChem CID: 158415994
• Molecular Formula: C172H178Br5Cl10F6N27O10P4Pd
• Molecular Weight: 3881.85 g/mol
• Exact Mass: 3869.49
• IUPAC Name: 2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;N-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-piperidin-1-ylquinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;methane;palladium;prop-2-enoyl chloride;tetrakis(triphenylphosphane);urea
• SMILES: C.C=CC(=O)Cl.CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3c(F)c(Br)c(Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CN(C)CCN.CN(C)CCNc1nc(N2CCCCC2)c2cc(Cl)c(Br)c(F)c2n1.Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(N3CCCCC3)nc(NCCN(C)C)nc2c1F.Fc1c(Br)c(Cl)cc2c(Cl)nc(Cl)nc12.NC(N)=O.Nc1c(C(=O)O)cc(Cl)c(Br)c1F.O=c1[nH]c(=O)c2cc(Cl)c(Br)c(F)c2[nH]1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C25H29ClFN7.4C18H15P.C17H18BrCl2FN4O2.C17H22BrClFN5.C9H18N2O2.C8HBrCl3FN2.C8H3BrClFN2O2.C7H4BrClFNO2.C4H12N2.C3H3ClO.CH4N2O.CH4.Pd/c1-15-7-8-19-17(14-29-32-19)20(15)21-18(26)13-16-23(22(21)27)30-25(28-9-12-33(2)3)31-24(16)34-10-5-4-6-11-34;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-17(2,3)27-16(26)25-6-4-24(5-7-25)14-9-8-10(19)11(18)12(21)13(9)22-15(20)23-14;1-24(2)9-6-21-17-22-15-11(10-12(19)13(18)14(15)20)16(23-17)25-7-4-3-5-8-25;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-4-3(10)1-2-6(5(4)13)14-8(12)15-7(2)11;9-4-3(10)1-2-6(5(4)11)12-8(15)13-7(2)14;8-4-3(9)1-2(7(12)13)6(11)5(4)10;1-6(2)4-3-5;1-2-3(4)5;2-1(3)4;;/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,29,32)(H,28,30,31);4*1-15H;8H,4-7H2,1-3H3;10H,3-9H2,1-2H3,(H,21,22,23);10H,4-7H2,1-3H3;1H;1H,(H2,12,13,14,15);1H,11H2,(H,12,13);3-5H2,1-2H3;2H,1H2;(H4,2,3,4);1H4
• InChIKey: GZXBLDWGYGZONJ-UHFFFAOYSA-N
• XLogP: 37.77
• TPSA: 487.65 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3881.85
LogP ≤ 5	37.77
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;N-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-piperidin-1-ylquinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;methane;palladium;prop-2-enoyl chloride;tetrakis(triphenylphosphane);urea?

The IUPAC name of 2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;N-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-piperidin-1-ylquinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;methane;palladium;prop-2-enoyl chloride;tetrakis(triphenylphosphane);urea (CID 158415994) is 2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;N-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-piperidin-1-ylquinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;methane;palladium;prop-2-enoyl chloride;tetrakis(triphenylphosphane);urea.

What is the SMILES notation for 2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;N-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-piperidin-1-ylquinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;methane;palladium;prop-2-enoyl chloride;tetrakis(triphenylphosphane);urea?

The canonical SMILES for 2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;N-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-piperidin-1-ylquinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;methane;palladium;prop-2-enoyl chloride;tetrakis(triphenylphosphane);urea is C.C=CC(=O)Cl.CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3c(F)c(Br)c(Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CN(C)CCN.CN(C)CCNc1nc(N2CCCCC2)c2cc(Cl)c(Br)c(F)c2n1.Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(N3CCCCC3)nc(NCCN(C)C)nc2c1F.Fc1c(Br)c(Cl)cc2c(Cl)nc(Cl)nc12.NC(N)=O.Nc1c(C(=O)O)cc(Cl)c(Br)c1F.O=c1[nH]c(=O)c2cc(Cl)c(Br)c(F)c2[nH]1.[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-5-chloro-3-fluorobenzoic acid;N-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-piperidin-1-ylquinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;methane;palladium;prop-2-enoyl chloride;tetrakis(triphenylphosphane);urea?

The InChIKey is GZXBLDWGYGZONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN7.4C18H15P.C17H18BrCl2FN4O2.C17H22BrClFN5.C9H18N2O2.C8HBrCl3FN2.C8H3BrClFN2O2.C7H4BrClFNO2.C4H12N2.C3H3ClO.CH4N2O.CH4.Pd/c1-15-7-8-19-17(14-29-32-19)20(15)21-18(26)13-16-23(22(21)27)30-25(28-9-12-33(2)3)31-24(16)34-10-5-4-6-11-34;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-17(2,3)27-16(26)25-6-4-24(5-7-25)14-9-8-10(19)11(18)12(21)13(9)22-15(20)23-14;1-24(2)9-6-21-17-22-15-11(10-12(19)13(18)14(15)20)16(23-17)25-7-4-3-5-8-25;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-4-3(10)1-2-6(5(4)13)14-8(12)15-7(2)11;9-4-3(10)1-2-6(5(4)11)12-8(15)13-7(2)14;8-4-3(9)1-2(7(12)13)6(11)5(4)10;1-6(2)4-3-5;1-2-3(4)5;2-1(3)4;;/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,29,32)(H,28,30,31);4*1-15H;8H,4-7H2,1-3H3;10H,3-9H2,1-2H3,(H,21,22,23);10H,4-7H2,1-3H3;1H;1H,(H2,12,13,14,15);1H,11H2,(H,12,13);3-5H2,1-2H3;2H,1H2;(H4,2,3,4);1H4;.

What are the key properties of 2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;N-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-piperidin-1-ylquinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;methane;palladium;prop-2-enoyl chloride;tetrakis(triphenylphosphane);urea?

2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;N-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-piperidin-1-ylquinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;methane;palladium;prop-2-enoyl chloride;tetrakis(triphenylphosphane);urea has a molecular weight of 3881.85 g/mol, XLogP of 37.77, 28 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;N-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-piperidin-1-ylquinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;methane;palladium;prop-2-enoyl chloride;tetrakis(triphenylphosphane);urea is sourced from PubChem (CID 158415994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).