6-bromo-7-chloro-4-piperidin-1-ylquinazoline;6-bromo-7-chloro-3H-quinazolin-4-one;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(7-chloro-6-phenylquinazolin-4-yl)piperazine-1-carboxylate;7-chloro-6-phenyl-4-piperidin-1-ylquinazoline;1-[4-(7-chloro-6-phenylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;formamide;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;phenylboronic acid;piperidine;prop-2-enoyl chloride;dihydrochloride

C116H119BBr4Cl11N21O11 — CID 157305940

About 6-bromo-7-chloro-4-piperidin-1-ylquinazoline;6-bromo-7-chloro-3H-quinazolin-4-one;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(7-chloro-6-phenylquinazolin-4-yl)piperazine-1-carboxylate;7-chloro-6-phenyl-4-piperidin-1-ylquinazoline;1-[4-(7-chloro-6-phenylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;formamide;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;phenylboronic acid;piperidine;prop-2-enoyl chloride;dihydrochloride

6-bromo-7-chloro-4-piperidin-1-ylquinazoline;6-bromo-7-chloro-3H-quinazolin-4-one;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(7-chloro-6-phenylquinazolin-4-yl)piperazine-1-carboxylate;7-chloro-6-phenyl-4-piperidin-1-ylquinazoline;1-[4-(7-chloro-6-phenylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;formamide;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;phenylboronic acid;piperidine;prop-2-enoyl chloride;dihydrochloride (PubChem CID 157305940) has the molecular formula C116H119BBr4Cl11N21O11 and a molecular weight of 2703.77 g/mol. Its IUPAC name is 6-bromo-7-chloro-4-piperidin-1-ylquinazoline;6-bromo-7-chloro-3H-quinazolin-4-one;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(7-chloro-6-phenylquinazolin-4-yl)piperazine-1-carboxylate;7-chloro-6-phenyl-4-piperidin-1-ylquinazoline;1-[4-(7-chloro-6-phenylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;formamide;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;phenylboronic acid;piperidine;prop-2-enoyl chloride;dihydrochloride.

Molecular Properties

• Compound Name: 6-bromo-7-chloro-4-piperidin-1-ylquinazoline;6-bromo-7-chloro-3H-quinazolin-4-one;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(7-chloro-6-phenylquinazolin-4-yl)piperazine-1-carboxylate;7-chloro-6-phenyl-4-piperidin-1-ylquinazoline;1-[4-(7-chloro-6-phenylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;formamide;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;phenylboronic acid;piperidine;prop-2-enoyl chloride;dihydrochloride
• PubChem CID: 157305940
• Molecular Formula: C116H119BBr4Cl11N21O11
• Molecular Weight: 2703.77 g/mol
• Exact Mass: 2693.28
• IUPAC Name: 6-bromo-7-chloro-4-piperidin-1-ylquinazoline;6-bromo-7-chloro-3H-quinazolin-4-one;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(7-chloro-6-phenylquinazolin-4-yl)piperazine-1-carboxylate;7-chloro-6-phenyl-4-piperidin-1-ylquinazoline;1-[4-(7-chloro-6-phenylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;formamide;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;phenylboronic acid;piperidine;prop-2-enoyl chloride;dihydrochloride
• SMILES: C1CCNCC1.C=CC(=O)Cl.C=CC(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccccc4)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccccc4)cc23)CC1.CO.COC(=O)c1cc(Br)c(Cl)cc1N.Cl.Cl.Clc1cc2ncnc(Cl)c2cc1Br.Clc1cc2ncnc(N3CCCCC3)c2cc1-c1ccccc1.Clc1cc2ncnc(N3CCCCC3)c2cc1Br.NC=O.O=c1[nH]cnc2cc(Cl)c(Br)cc12.OB(O)c1ccccc1
• InChI: InChI=1S/C23H25ClN4O2.C21H19ClN4O.C19H18ClN3.C13H13BrClN3.C8H3BrCl2N2.C8H4BrClN2O.C8H7BrClNO2.C6H7BO2.C5H11N.C3H3ClO.CH3NO.CH4O.2ClH/c1-23(2,3)30-22(29)28-11-9-27(10-12-28)21-18-13-17(16-7-5-4-6-8-16)19(24)14-20(18)25-15-26-21;1-2-20(27)25-8-10-26(11-9-25)21-17-12-16(15-6-4-3-5-7-15)18(22)13-19(17)23-14-24-21;20-17-12-18-16(11-15(17)14-7-3-1-4-8-14)19(22-13-21-18)23-9-5-2-6-10-23;14-10-6-9-12(7-11(10)15)16-8-17-13(9)18-4-2-1-3-5-18;9-5-1-4-7(2-6(5)10)12-3-13-8(4)11;9-5-1-4-7(2-6(5)10)11-3-12-8(4)13;1-13-8(12)4-2-5(9)6(10)3-7(4)11;8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2-3(4)5;2-1-3;1-2;;/h4-8,13-15H,9-12H2,1-3H3;2-7,12-14H,1,8-11H2;1,3-4,7-8,11-13H,2,5-6,9-10H2;6-8H,1-5H2;1-3H;1-3H,(H,11,12,13);2-3H,11H2,1H3;1-5,8-9H;6H,1-5H2;2H,1H2;1H,(H2,2,3);2H,1H3;2*1H
• InChIKey: JKGSYJOAHGLOMM-UHFFFAOYSA-N
• XLogP: 26.90
• TPSA: 422.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 11
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2703.77
LogP ≤ 5	26.90
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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 6-bromo-7-chloro-4-piperidin-1-ylquinazoline;6-bromo-7-chloro-3H-quinazolin-4-one;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(7-chloro-6-phenylquinazolin-4-yl)piperazine-1-carboxylate;7-chloro-6-phenyl-4-piperidin-1-ylquinazoline;1-[4-(7-chloro-6-phenylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;formamide;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;phenylboronic acid;piperidine;prop-2-enoyl chloride;dihydrochloride?

The IUPAC name of 6-bromo-7-chloro-4-piperidin-1-ylquinazoline;6-bromo-7-chloro-3H-quinazolin-4-one;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(7-chloro-6-phenylquinazolin-4-yl)piperazine-1-carboxylate;7-chloro-6-phenyl-4-piperidin-1-ylquinazoline;1-[4-(7-chloro-6-phenylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;formamide;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;phenylboronic acid;piperidine;prop-2-enoyl chloride;dihydrochloride (CID 157305940) is 6-bromo-7-chloro-4-piperidin-1-ylquinazoline;6-bromo-7-chloro-3H-quinazolin-4-one;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(7-chloro-6-phenylquinazolin-4-yl)piperazine-1-carboxylate;7-chloro-6-phenyl-4-piperidin-1-ylquinazoline;1-[4-(7-chloro-6-phenylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;formamide;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;phenylboronic acid;piperidine;prop-2-enoyl chloride;dihydrochloride.

What is the SMILES notation for 6-bromo-7-chloro-4-piperidin-1-ylquinazoline;6-bromo-7-chloro-3H-quinazolin-4-one;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(7-chloro-6-phenylquinazolin-4-yl)piperazine-1-carboxylate;7-chloro-6-phenyl-4-piperidin-1-ylquinazoline;1-[4-(7-chloro-6-phenylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;formamide;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;phenylboronic acid;piperidine;prop-2-enoyl chloride;dihydrochloride?

The canonical SMILES for 6-bromo-7-chloro-4-piperidin-1-ylquinazoline;6-bromo-7-chloro-3H-quinazolin-4-one;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(7-chloro-6-phenylquinazolin-4-yl)piperazine-1-carboxylate;7-chloro-6-phenyl-4-piperidin-1-ylquinazoline;1-[4-(7-chloro-6-phenylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;formamide;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;phenylboronic acid;piperidine;prop-2-enoyl chloride;dihydrochloride is C1CCNCC1.C=CC(=O)Cl.C=CC(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccccc4)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccccc4)cc23)CC1.CO.COC(=O)c1cc(Br)c(Cl)cc1N.Cl.Cl.Clc1cc2ncnc(Cl)c2cc1Br.Clc1cc2ncnc(N3CCCCC3)c2cc1-c1ccccc1.Clc1cc2ncnc(N3CCCCC3)c2cc1Br.NC=O.O=c1[nH]cnc2cc(Cl)c(Br)cc12.OB(O)c1ccccc1.

What is the InChIKey of 6-bromo-7-chloro-4-piperidin-1-ylquinazoline;6-bromo-7-chloro-3H-quinazolin-4-one;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(7-chloro-6-phenylquinazolin-4-yl)piperazine-1-carboxylate;7-chloro-6-phenyl-4-piperidin-1-ylquinazoline;1-[4-(7-chloro-6-phenylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;formamide;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;phenylboronic acid;piperidine;prop-2-enoyl chloride;dihydrochloride?

The InChIKey is JKGSYJOAHGLOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2.C21H19ClN4O.C19H18ClN3.C13H13BrClN3.C8H3BrCl2N2.C8H4BrClN2O.C8H7BrClNO2.C6H7BO2.C5H11N.C3H3ClO.CH3NO.CH4O.2ClH/c1-23(2,3)30-22(29)28-11-9-27(10-12-28)21-18-13-17(16-7-5-4-6-8-16)19(24)14-20(18)25-15-26-21;1-2-20(27)25-8-10-26(11-9-25)21-17-12-16(15-6-4-3-5-7-15)18(22)13-19(17)23-14-24-21;20-17-12-18-16(11-15(17)14-7-3-1-4-8-14)19(22-13-21-18)23-9-5-2-6-10-23;14-10-6-9-12(7-11(10)15)16-8-17-13(9)18-4-2-1-3-5-18;9-5-1-4-7(2-6(5)10)12-3-13-8(4)11;9-5-1-4-7(2-6(5)10)11-3-12-8(4)13;1-13-8(12)4-2-5(9)6(10)3-7(4)11;8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2-3(4)5;2-1-3;1-2;;/h4-8,13-15H,9-12H2,1-3H3;2-7,12-14H,1,8-11H2;1,3-4,7-8,11-13H,2,5-6,9-10H2;6-8H,1-5H2;1-3H;1-3H,(H,11,12,13);2-3H,11H2,1H3;1-5,8-9H;6H,1-5H2;2H,1H2;1H,(H2,2,3);2H,1H3;2*1H.

What are the key properties of 6-bromo-7-chloro-4-piperidin-1-ylquinazoline;6-bromo-7-chloro-3H-quinazolin-4-one;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(7-chloro-6-phenylquinazolin-4-yl)piperazine-1-carboxylate;7-chloro-6-phenyl-4-piperidin-1-ylquinazoline;1-[4-(7-chloro-6-phenylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;formamide;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;phenylboronic acid;piperidine;prop-2-enoyl chloride;dihydrochloride?

6-bromo-7-chloro-4-piperidin-1-ylquinazoline;6-bromo-7-chloro-3H-quinazolin-4-one;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(7-chloro-6-phenylquinazolin-4-yl)piperazine-1-carboxylate;7-chloro-6-phenyl-4-piperidin-1-ylquinazoline;1-[4-(7-chloro-6-phenylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;formamide;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;phenylboronic acid;piperidine;prop-2-enoyl chloride;dihydrochloride has a molecular weight of 2703.77 g/mol, XLogP of 26.90, 11 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-7-chloro-4-piperidin-1-ylquinazoline;6-bromo-7-chloro-3H-quinazolin-4-one;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(7-chloro-6-phenylquinazolin-4-yl)piperazine-1-carboxylate;7-chloro-6-phenyl-4-piperidin-1-ylquinazoline;1-[4-(7-chloro-6-phenylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;formamide;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;phenylboronic acid;piperidine;prop-2-enoyl chloride;dihydrochloride is sourced from PubChem (CID 157305940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).