N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline

C89H102BBrCl3F2N15O11S3 — CID 159318351

About N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline

N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline (PubChem CID 159318351) has the molecular formula C89H102BBrCl3F2N15O11S3 and a molecular weight of 1889.16 g/mol. Its IUPAC name is N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline.

Molecular Properties

• Compound Name: N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
• PubChem CID: 159318351
• Molecular Formula: C89H102BBrCl3F2N15O11S3
• Molecular Weight: 1889.16 g/mol
• Exact Mass: 1885.54
• IUPAC Name: N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
• SMILES: CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.CCc1cc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(N(C)C)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(F)nc12.CN(C)C1CCC(N)CC1.COc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1Br
• InChI: InChI=1S/C30H35ClN6O3S.C23H19ClFN3O3S.C16H20BFN2O2.C12H10BrClN2O3S.C8H18N2/c1-5-19-16-20(17-21-18-32-30(35-28(19)21)33-22-10-12-23(13-11-22)37(2)3)24-14-15-27(34-29(24)40-4)36-41(38,39)26-9-7-6-8-25(26)31;1-3-14-10-15(11-16-12-26-23(25)28-21(14)16)18-9-8-17(27-22(18)31-2)13-32(29,30)20-7-5-4-6-19(20)24;1-6-10-7-12(8-11-9-19-14(18)20-13(10)11)17-21-15(2,3)16(4,5)22-17;1-19-12-8(13)6-7-11(15-12)16-20(17,18)10-5-3-2-4-9(10)14;1-10(2)8-5-3-7(9)4-6-8/h6-9,14-18,22-23H,5,10-13H2,1-4H3,(H,34,36)(H,32,33,35);4-12H,3,13H2,1-2H3;7-9H,6H2,1-5H3;2-7H,1H3,(H,15,16);7-8H,3-6,9H2,1-2H3
• InChIKey: LDLAFNXCYLHRTI-UHFFFAOYSA-N
• XLogP: 17.79
• TPSA: 333.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1889.16
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?

The IUPAC name of N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline (CID 159318351) is N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline.

What is the SMILES notation for N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?

The canonical SMILES for N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline is CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.CCc1cc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(N(C)C)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(F)nc12.CN(C)C1CCC(N)CC1.COc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1Br.

What is the InChIKey of N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?

The InChIKey is LDLAFNXCYLHRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN6O3S.C23H19ClFN3O3S.C16H20BFN2O2.C12H10BrClN2O3S.C8H18N2/c1-5-19-16-20(17-21-18-32-30(35-28(19)21)33-22-10-12-23(13-11-22)37(2)3)24-14-15-27(34-29(24)40-4)36-41(38,39)26-9-7-6-8-25(26)31;1-3-14-10-15(11-16-12-26-23(25)28-21(14)16)18-9-8-17(27-22(18)31-2)13-32(29,30)20-7-5-4-6-19(20)24;1-6-10-7-12(8-11-9-19-14(18)20-13(10)11)17-21-15(2,3)16(4,5)22-17;1-19-12-8(13)6-7-11(15-12)16-20(17,18)10-5-3-2-4-9(10)14;1-10(2)8-5-3-7(9)4-6-8/h6-9,14-18,22-23H,5,10-13H2,1-4H3,(H,34,36)(H,32,33,35);4-12H,3,13H2,1-2H3;7-9H,6H2,1-5H3;2-7H,1H3,(H,15,16);7-8H,3-6,9H2,1-2H3.

What are the key properties of N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?

N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline has a molecular weight of 1889.16 g/mol, XLogP of 17.79, 22 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline is sourced from PubChem (CID 159318351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).