tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride

C126H158BBrCl16N16O13 — CID 167614028

About tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride

tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride (PubChem CID 167614028) has the molecular formula C126H158BBrCl16N16O13 and a molecular weight of 2762.71 g/mol. Its IUPAC name is tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride
• PubChem CID: 167614028
• Molecular Formula: C126H158BBrCl16N16O13
• Molecular Weight: 2762.71 g/mol
• Exact Mass: 2752.65
• IUPAC Name: tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride
• SMILES: C.C.C.C.C.C.C.C.C.C=CC(=O)Cl.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccccc4Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCN(CC)CC.CO.COC(=O)c1cc(-c2ccccc2Cl)c(Cl)cc1N.COC(=O)c1cc(Br)c(Cl)cc1N.Cl.Cl.Clc1ccccc1-c1cc2c(Cl)ncnc2cc1Cl.Clc1ccccc1-c1cc2c(N3CCCCC3)ncnc2cc1Cl.O=c1[nH]cnc2cc(Cl)c(-c3ccccc3Cl)cc12.OB(O)c1ccccc1Cl
• InChI: InChI=1S/C23H24Cl2N4O2.C19H17Cl2N3.C14H7Cl3N2.C14H8Cl2N2O.C14H11Cl2NO2.C9H18N2O2.C8H7BrClNO2.C6H6BClO2.C6H15N.C3H3ClO.CH4O.9CH4.2ClH/c1-23(2,3)31-22(30)29-10-8-28(9-11-29)21-17-12-16(15-6-4-5-7-18(15)24)19(25)13-20(17)26-14-27-21;20-16-7-3-2-6-13(16)14-10-15-18(11-17(14)21)22-12-23-19(15)24-8-4-1-5-9-24;15-11-4-2-1-3-8(11)9-5-10-13(6-12(9)16)18-7-19-14(10)17;15-11-4-2-1-3-8(11)9-5-10-13(6-12(9)16)17-7-18-14(10)19;1-19-14(18)10-6-9(12(16)7-13(10)17)8-4-2-3-5-11(8)15;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-13-8(12)4-2-5(9)6(10)3-7(4)11;8-6-4-2-1-3-5(6)7(9)10;1-4-7(5-2)6-3;1-2-3(4)5;1-2;;;;;;;;;;;/h4-7,12-14H,8-11H2,1-3H3;2-3,6-7,10-12H,1,4-5,8-9H2;1-7H;1-7H,(H,17,18,19);2-7H,17H2,1H3;10H,4-7H2,1-3H3;2-3H,11H2,1H3;1-4,9-10H;4-6H2,1-3H3;2H,1H2;2H,1H3;9*1H4;2*1H
• InChIKey: QBBOGXBFUHLMCO-UHFFFAOYSA-N
• XLogP: 36.22
• TPSA: 386.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2762.71
LogP ≤ 5	36.22
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride?

The IUPAC name of tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride (CID 167614028) is tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride.

What is the SMILES notation for tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride?

The canonical SMILES for tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride is C.C.C.C.C.C.C.C.C.C=CC(=O)Cl.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccccc4Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCN(CC)CC.CO.COC(=O)c1cc(-c2ccccc2Cl)c(Cl)cc1N.COC(=O)c1cc(Br)c(Cl)cc1N.Cl.Cl.Clc1ccccc1-c1cc2c(Cl)ncnc2cc1Cl.Clc1ccccc1-c1cc2c(N3CCCCC3)ncnc2cc1Cl.O=c1[nH]cnc2cc(Cl)c(-c3ccccc3Cl)cc12.OB(O)c1ccccc1Cl.

What is the InChIKey of tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride?

The InChIKey is QBBOGXBFUHLMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O2.C19H17Cl2N3.C14H7Cl3N2.C14H8Cl2N2O.C14H11Cl2NO2.C9H18N2O2.C8H7BrClNO2.C6H6BClO2.C6H15N.C3H3ClO.CH4O.9CH4.2ClH/c1-23(2,3)31-22(30)29-10-8-28(9-11-29)21-17-12-16(15-6-4-5-7-18(15)24)19(25)13-20(17)26-14-27-21;20-16-7-3-2-6-13(16)14-10-15-18(11-17(14)21)22-12-23-19(15)24-8-4-1-5-9-24;15-11-4-2-1-3-8(11)9-5-10-13(6-12(9)16)18-7-19-14(10)17;15-11-4-2-1-3-8(11)9-5-10-13(6-12(9)16)17-7-18-14(10)19;1-19-14(18)10-6-9(12(16)7-13(10)17)8-4-2-3-5-11(8)15;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-13-8(12)4-2-5(9)6(10)3-7(4)11;8-6-4-2-1-3-5(6)7(9)10;1-4-7(5-2)6-3;1-2-3(4)5;1-2;;;;;;;;;;;/h4-7,12-14H,8-11H2,1-3H3;2-3,6-7,10-12H,1,4-5,8-9H2;1-7H;1-7H,(H,17,18,19);2-7H,17H2,1H3;10H,4-7H2,1-3H3;2-3H,11H2,1H3;1-4,9-10H;4-6H2,1-3H3;2H,1H2;2H,1H3;9*1H4;2*1H.

What are the key properties of tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride?

tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride has a molecular weight of 2762.71 g/mol, XLogP of 36.22, 14 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride is sourced from PubChem (CID 167614028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).