4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid

C109H127BBr4Cl8N22O20 — CID 160614247

About 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid

4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid (PubChem CID 160614247) has the molecular formula C109H127BBr4Cl8N22O20 and a molecular weight of 2679.40 g/mol. Its IUPAC name is 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid.

Molecular Properties

• Compound Name: 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid
• PubChem CID: 160614247
• Molecular Formula: C109H127BBr4Cl8N22O20
• Molecular Weight: 2679.40 g/mol
• Exact Mass: 2670.39
• IUPAC Name: 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid
• SMILES: COC(=O)C1CN(c2nc(C)nc3cc(Cl)c(Br)cc23)CCN1C(=O)OC(C)(C)C.COC(=O)C1CNCCN1C(=O)OC(C)(C)C.Cc1nc(Cl)c2cc(Br)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C(=O)O)C2)c2cc(Br)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C(N)=O)C2)c2cc(-c3ccc(Cl)cc3)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C(N)=O)C2)c2cc(Br)c(Cl)cc2n1.OB(O)c1ccc(Cl)cc1
• InChI: InChI=1S/C25H27Cl2N5O3.C20H24BrClN4O4.C19H23BrClN5O3.C19H22BrClN4O4.C11H20N2O4.C9H5BrCl2N2.C6H6BClO2/c1-14-29-20-12-19(27)17(15-5-7-16(26)8-6-15)11-18(20)23(30-14)31-9-10-32(21(13-31)22(28)33)24(34)35-25(2,3)4;1-11-23-15-9-14(22)13(21)8-12(15)17(24-11)25-6-7-26(16(10-25)18(27)29-5)19(28)30-20(2,3)4;1-10-23-14-8-13(21)12(20)7-11(14)17(24-10)25-5-6-26(15(9-25)16(22)27)18(28)29-19(2,3)4;1-10-22-14-8-13(21)12(20)7-11(14)16(23-10)24-5-6-25(15(9-24)17(26)27)18(28)29-19(2,3)4;1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;1-4-13-8-3-7(11)6(10)2-5(8)9(12)14-4;8-6-3-1-5(2-4-6)7(9)10/h5-8,11-12,21H,9-10,13H2,1-4H3,(H2,28,33);8-9,16H,6-7,10H2,1-5H3;7-8,15H,5-6,9H2,1-4H3,(H2,22,27);7-8,15H,5-6,9H2,1-4H3,(H,26,27);8,12H,5-7H2,1-4H3;2-3H,1H3;1-4,9-10H
• InChIKey: RFWOXSQIJWGACB-UHFFFAOYSA-N
• XLogP: 20.30
• TPSA: 518.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 11
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2679.40
LogP ≤ 5	20.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid?

The IUPAC name of 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid (CID 160614247) is 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid.

What is the SMILES notation for 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid?

The canonical SMILES for 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid is COC(=O)C1CN(c2nc(C)nc3cc(Cl)c(Br)cc23)CCN1C(=O)OC(C)(C)C.COC(=O)C1CNCCN1C(=O)OC(C)(C)C.Cc1nc(Cl)c2cc(Br)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C(=O)O)C2)c2cc(Br)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C(N)=O)C2)c2cc(-c3ccc(Cl)cc3)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C(N)=O)C2)c2cc(Br)c(Cl)cc2n1.OB(O)c1ccc(Cl)cc1.

What is the InChIKey of 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid?

The InChIKey is RFWOXSQIJWGACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N5O3.C20H24BrClN4O4.C19H23BrClN5O3.C19H22BrClN4O4.C11H20N2O4.C9H5BrCl2N2.C6H6BClO2/c1-14-29-20-12-19(27)17(15-5-7-16(26)8-6-15)11-18(20)23(30-14)31-9-10-32(21(13-31)22(28)33)24(34)35-25(2,3)4;1-11-23-15-9-14(22)13(21)8-12(15)17(24-11)25-6-7-26(16(10-25)18(27)29-5)19(28)30-20(2,3)4;1-10-23-14-8-13(21)12(20)7-11(14)17(24-10)25-5-6-26(15(9-25)16(22)27)18(28)29-19(2,3)4;1-10-22-14-8-13(21)12(20)7-11(14)16(23-10)24-5-6-25(15(9-24)17(26)27)18(28)29-19(2,3)4;1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;1-4-13-8-3-7(11)6(10)2-5(8)9(12)14-4;8-6-3-1-5(2-4-6)7(9)10/h5-8,11-12,21H,9-10,13H2,1-4H3,(H2,28,33);8-9,16H,6-7,10H2,1-5H3;7-8,15H,5-6,9H2,1-4H3,(H2,22,27);7-8,15H,5-6,9H2,1-4H3,(H,26,27);8,12H,5-7H2,1-4H3;2-3H,1H3;1-4,9-10H.

What are the key properties of 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid?

4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid has a molecular weight of 2679.40 g/mol, XLogP of 20.30, 11 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid is sourced from PubChem (CID 160614247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).