6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride

C119H118BBrCl17N19O12S — CID 161074531

About 6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride

6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride (PubChem CID 161074531) has the molecular formula C119H118BBrCl17N19O12S and a molecular weight of 2731.86 g/mol. Its IUPAC name is 6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride.

Molecular Properties

• Compound Name: 6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride
• PubChem CID: 161074531
• Molecular Formula: C119H118BBrCl17N19O12S
• Molecular Weight: 2731.86 g/mol
• Exact Mass: 2721.29
• IUPAC Name: 6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride
• SMILES: C.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCC(=O)Cl.CCC(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1.CO.Cl.Clc1ccc(-c2cc3c(Cl)ncnc3cc2Cl)cc1.Clc1ccc(-c2cc3c(N4CCCCC4)ncnc3cc2Cl)cc1.O=S(Cl)Cl.O=c1[nH]cnc2cc(Cl)c(-c3ccc(Cl)cc3)cc12.O=c1[nH]cnc2cc(Cl)c(Br)cc12.OB(O)c1ccc(Cl)cc1
• InChI: InChI=1S/C23H24Cl2N4O2.C21H20Cl2N4O.C19H17Cl2N3.C14H7Cl3N2.C14H8Cl2N2O.C9H18N2O2.C8H4BrClN2O.C6H6BClO2.C3H5ClO.CH4O.CH4.Cl2OS.ClH/c1-23(2,3)31-22(30)29-10-8-28(9-11-29)21-18-12-17(15-4-6-16(24)7-5-15)19(25)13-20(18)26-14-27-21;1-2-20(28)26-7-9-27(10-8-26)21-17-11-16(14-3-5-15(22)6-4-14)18(23)12-19(17)24-13-25-21;20-14-6-4-13(5-7-14)15-10-16-18(11-17(15)21)22-12-23-19(16)24-8-2-1-3-9-24;15-9-3-1-8(2-4-9)10-5-11-13(6-12(10)16)18-7-19-14(11)17;15-9-3-1-8(2-4-9)10-5-11-13(6-12(10)16)17-7-18-14(11)19;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-5-1-4-7(2-6(5)10)11-3-12-8(4)13;8-6-3-1-5(2-4-6)7(9)10;1-2-3(4)5;1-2;;1-4(2)3;/h4-7,12-14H,8-11H2,1-3H3;3-6,11-13H,2,7-10H2,1H3;4-7,10-12H,1-3,8-9H2;1-7H;1-7H,(H,17,18,19);10H,4-7H2,1-3H3;1-3H,(H,11,12,13);1-4,9-10H;2H2,1H3;2H,1H3;1H4;;1H
• InChIKey: OTCOLVJLBPDCLP-UHFFFAOYSA-N
• XLogP: 31.13
• TPSA: 390.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 11
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2731.86
LogP ≤ 5	31.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride?

The IUPAC name of 6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride (CID 161074531) is 6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride.

What is the SMILES notation for 6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride?

The canonical SMILES for 6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride is C.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCC(=O)Cl.CCC(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1.CO.Cl.Clc1ccc(-c2cc3c(Cl)ncnc3cc2Cl)cc1.Clc1ccc(-c2cc3c(N4CCCCC4)ncnc3cc2Cl)cc1.O=S(Cl)Cl.O=c1[nH]cnc2cc(Cl)c(-c3ccc(Cl)cc3)cc12.O=c1[nH]cnc2cc(Cl)c(Br)cc12.OB(O)c1ccc(Cl)cc1.

What is the InChIKey of 6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride?

The InChIKey is OTCOLVJLBPDCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O2.C21H20Cl2N4O.C19H17Cl2N3.C14H7Cl3N2.C14H8Cl2N2O.C9H18N2O2.C8H4BrClN2O.C6H6BClO2.C3H5ClO.CH4O.CH4.Cl2OS.ClH/c1-23(2,3)31-22(30)29-10-8-28(9-11-29)21-18-12-17(15-4-6-16(24)7-5-15)19(25)13-20(18)26-14-27-21;1-2-20(28)26-7-9-27(10-8-26)21-17-11-16(14-3-5-15(22)6-4-14)18(23)12-19(17)24-13-25-21;20-14-6-4-13(5-7-14)15-10-16-18(11-17(15)21)22-12-23-19(16)24-8-2-1-3-9-24;15-9-3-1-8(2-4-9)10-5-11-13(6-12(10)16)18-7-19-14(11)17;15-9-3-1-8(2-4-9)10-5-11-13(6-12(10)16)17-7-18-14(11)19;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-5-1-4-7(2-6(5)10)11-3-12-8(4)13;8-6-3-1-5(2-4-6)7(9)10;1-2-3(4)5;1-2;;1-4(2)3;/h4-7,12-14H,8-11H2,1-3H3;3-6,11-13H,2,7-10H2,1H3;4-7,10-12H,1-3,8-9H2;1-7H;1-7H,(H,17,18,19);10H,4-7H2,1-3H3;1-3H,(H,11,12,13);1-4,9-10H;2H2,1H3;2H,1H3;1H4;;1H.

What are the key properties of 6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride?

6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride has a molecular weight of 2731.86 g/mol, XLogP of 31.13, 11 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride is sourced from PubChem (CID 161074531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).