6-bromo-7-chloro-4-cyclohexylquinazoline;6-bromo-4,7-dichloroquinazoline;1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;bis(7-chloro-6-(2-chlorophenyl)-4-cyclohexylquinazoline);(2-chlorophenyl)boronic acid;N,N-diethylethanamine;methanol;methyl 1-(6-bromo-7-chloroquinazolin-4-yl)cyclohexane-1-carboxylate;prop-2-enoyl chloride;dihydrochloride

C₁₀₆H₁₂₀BBr₃Cl₁₂N₁₂O₁₀ — CID 158959590

About 6-bromo-7-chloro-4-cyclohexylquinazoline;6-bromo-4,7-dichloroquinazoline;1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;bis(7-chloro-6-(2-chlorophenyl)-4-cyclohexylquinazoline);(2-chlorophenyl)boronic acid;N,N-diethylethanamine;methanol;methyl 1-(6-bromo-7-chloroquinazolin-4-yl)cyclohexane-1-carboxylate;prop-2-enoyl chloride;dihydrochloride

6-bromo-7-chloro-4-cyclohexylquinazoline;6-bromo-4,7-dichloroquinazoline;1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;bis(7-chloro-6-(2-chlorophenyl)-4-cyclohexylquinazoline);(2-chlorophenyl)boronic acid;N,N-diethylethanamine;methanol;methyl 1-(6-bromo-7-chloroquinazolin-4-yl)cyclohexane-1-carboxylate;prop-2-enoyl chloride;dihydrochloride (PubChem CID 158959590) has the molecular formula C₁₀₆H₁₂₀BBr₃Cl₁₂N₁₂O₁₀ and a molecular weight of 2398.16 g/mol. Its IUPAC name is 6-bromo-7-chloro-4-cyclohexylquinazoline;6-bromo-4,7-dichloroquinazoline;1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;bis(7-chloro-6-(2-chlorophenyl)-4-cyclohexylquinazoline);(2-chlorophenyl)boronic acid;N,N-diethylethanamine;methanol;methyl 1-(6-bromo-7-chloroquinazolin-4-yl)cyclohexane-1-carboxylate;prop-2-enoyl chloride;dihydrochloride.

Molecular Properties

• Compound Name: 6-bromo-7-chloro-4-cyclohexylquinazoline;6-bromo-4,7-dichloroquinazoline;1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;bis(7-chloro-6-(2-chlorophenyl)-4-cyclohexylquinazoline);(2-chlorophenyl)boronic acid;N,N-diethylethanamine;methanol;methyl 1-(6-bromo-7-chloroquinazolin-4-yl)cyclohexane-1-carboxylate;prop-2-enoyl chloride;dihydrochloride
• PubChem CID: 158959590
• Molecular Formula: C₁₀₆H₁₂₀BBr₃Cl₁₂N₁₂O₁₀
• Molecular Weight: 2398.16 g/mol
• Exact Mass: 2388.32
• IUPAC Name: 6-bromo-7-chloro-4-cyclohexylquinazoline;6-bromo-4,7-dichloroquinazoline;1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;bis(7-chloro-6-(2-chlorophenyl)-4-cyclohexylquinazoline);(2-chlorophenyl)boronic acid;N,N-diethylethanamine;methanol;methyl 1-(6-bromo-7-chloroquinazolin-4-yl)cyclohexane-1-carboxylate;prop-2-enoyl chloride;dihydrochloride
• SMILES: C=CC(=O)Cl.CCN(CC)CC.CO.COC(=O)C1(c2ncnc3cc(Cl)c(Br)cc23)CCCCC1.COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.Cl.Cl.Clc1cc2ncnc(C3CCCCC3)c2cc1Br.Clc1cc2ncnc(Cl)c2cc1Br.Clc1ccccc1-c1cc2c(C3CCCCC3)ncnc2cc1Cl.Clc1ccccc1-c1cc2c(C3CCCCC3)ncnc2cc1Cl.OB(O)c1ccccc1Cl
• InChI: InChI=1S/2C20H18Cl2N2.C16H16BrClN2O2.C14H14BrClN2.C12H21NO4.C8H3BrCl2N2.C6H6BClO2.C6H15N.C3H3ClO.CH4O.2ClH/c2*21-17-9-5-4-8-14(17)15-10-16-19(11-18(15)22)23-12-24-20(16)13-6-2-1-3-7-13;1-22-15(21)16(5-3-2-4-6-16)14-10-7-11(17)12(18)8-13(10)19-9-20-14;15-11-6-10-13(7-12(11)16)17-8-18-14(10)9-4-2-1-3-5-9;1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4;9-5-1-4-7(2-6(5)10)12-3-13-8(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;;/h2*4-5,8-13H,1-3,6-7H2;7-9H,2-6H2,1H3;6-9H,1-5H2;9H,5-8H2,1-4H3;1-3H;1-4,9-10H;4-6H2,1-3H3;2H,1H2;2H,1H3;2*1H
• InChIKey: RQQXFDKSNPAEMM-UHFFFAOYSA-N
• XLogP: 31.08
• TPSA: 292.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2398.16
LogP ≤ 5	31.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', '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-cyclohexylquinazoline;6-bromo-4,7-dichloroquinazoline;1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;bis(7-chloro-6-(2-chlorophenyl)-4-cyclohexylquinazoline);(2-chlorophenyl)boronic acid;N,N-diethylethanamine;methanol;methyl 1-(6-bromo-7-chloroquinazolin-4-yl)cyclohexane-1-carboxylate;prop-2-enoyl chloride;dihydrochloride?

The IUPAC name of 6-bromo-7-chloro-4-cyclohexylquinazoline;6-bromo-4,7-dichloroquinazoline;1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;bis(7-chloro-6-(2-chlorophenyl)-4-cyclohexylquinazoline);(2-chlorophenyl)boronic acid;N,N-diethylethanamine;methanol;methyl 1-(6-bromo-7-chloroquinazolin-4-yl)cyclohexane-1-carboxylate;prop-2-enoyl chloride;dihydrochloride (CID 158959590) is 6-bromo-7-chloro-4-cyclohexylquinazoline;6-bromo-4,7-dichloroquinazoline;1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;bis(7-chloro-6-(2-chlorophenyl)-4-cyclohexylquinazoline);(2-chlorophenyl)boronic acid;N,N-diethylethanamine;methanol;methyl 1-(6-bromo-7-chloroquinazolin-4-yl)cyclohexane-1-carboxylate;prop-2-enoyl chloride;dihydrochloride.

What is the SMILES notation for 6-bromo-7-chloro-4-cyclohexylquinazoline;6-bromo-4,7-dichloroquinazoline;1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;bis(7-chloro-6-(2-chlorophenyl)-4-cyclohexylquinazoline);(2-chlorophenyl)boronic acid;N,N-diethylethanamine;methanol;methyl 1-(6-bromo-7-chloroquinazolin-4-yl)cyclohexane-1-carboxylate;prop-2-enoyl chloride;dihydrochloride?

The canonical SMILES for 6-bromo-7-chloro-4-cyclohexylquinazoline;6-bromo-4,7-dichloroquinazoline;1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;bis(7-chloro-6-(2-chlorophenyl)-4-cyclohexylquinazoline);(2-chlorophenyl)boronic acid;N,N-diethylethanamine;methanol;methyl 1-(6-bromo-7-chloroquinazolin-4-yl)cyclohexane-1-carboxylate;prop-2-enoyl chloride;dihydrochloride is C=CC(=O)Cl.CCN(CC)CC.CO.COC(=O)C1(c2ncnc3cc(Cl)c(Br)cc23)CCCCC1.COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.Cl.Cl.Clc1cc2ncnc(C3CCCCC3)c2cc1Br.Clc1cc2ncnc(Cl)c2cc1Br.Clc1ccccc1-c1cc2c(C3CCCCC3)ncnc2cc1Cl.Clc1ccccc1-c1cc2c(C3CCCCC3)ncnc2cc1Cl.OB(O)c1ccccc1Cl.

What is the InChIKey of 6-bromo-7-chloro-4-cyclohexylquinazoline;6-bromo-4,7-dichloroquinazoline;1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;bis(7-chloro-6-(2-chlorophenyl)-4-cyclohexylquinazoline);(2-chlorophenyl)boronic acid;N,N-diethylethanamine;methanol;methyl 1-(6-bromo-7-chloroquinazolin-4-yl)cyclohexane-1-carboxylate;prop-2-enoyl chloride;dihydrochloride?

The InChIKey is RQQXFDKSNPAEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18Cl2N2.C16H16BrClN2O2.C14H14BrClN2.C12H21NO4.C8H3BrCl2N2.C6H6BClO2.C6H15N.C3H3ClO.CH4O.2ClH/c2*21-17-9-5-4-8-14(17)15-10-16-19(11-18(15)22)23-12-24-20(16)13-6-2-1-3-7-13;1-22-15(21)16(5-3-2-4-6-16)14-10-7-11(17)12(18)8-13(10)19-9-20-14;15-11-6-10-13(7-12(11)16)17-8-18-14(10)9-4-2-1-3-5-9;1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4;9-5-1-4-7(2-6(5)10)12-3-13-8(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;;/h2*4-5,8-13H,1-3,6-7H2;7-9H,2-6H2,1H3;6-9H,1-5H2;9H,5-8H2,1-4H3;1-3H;1-4,9-10H;4-6H2,1-3H3;2H,1H2;2H,1H3;2*1H.

What are the key properties of 6-bromo-7-chloro-4-cyclohexylquinazoline;6-bromo-4,7-dichloroquinazoline;1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;bis(7-chloro-6-(2-chlorophenyl)-4-cyclohexylquinazoline);(2-chlorophenyl)boronic acid;N,N-diethylethanamine;methanol;methyl 1-(6-bromo-7-chloroquinazolin-4-yl)cyclohexane-1-carboxylate;prop-2-enoyl chloride;dihydrochloride?

6-bromo-7-chloro-4-cyclohexylquinazoline;6-bromo-4,7-dichloroquinazoline;1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;bis(7-chloro-6-(2-chlorophenyl)-4-cyclohexylquinazoline);(2-chlorophenyl)boronic acid;N,N-diethylethanamine;methanol;methyl 1-(6-bromo-7-chloroquinazolin-4-yl)cyclohexane-1-carboxylate;prop-2-enoyl chloride;dihydrochloride has a molecular weight of 2398.16 g/mol, XLogP of 31.08, 13 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-7-chloro-4-cyclohexylquinazoline;6-bromo-4,7-dichloroquinazoline;1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;bis(7-chloro-6-(2-chlorophenyl)-4-cyclohexylquinazoline);(2-chlorophenyl)boronic acid;N,N-diethylethanamine;methanol;methyl 1-(6-bromo-7-chloroquinazolin-4-yl)cyclohexane-1-carboxylate;prop-2-enoyl chloride;dihydrochloride is sourced from PubChem (CID 158959590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158959590 — identifiers, structure, computed properties (public domain)

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