6-bromo-2-fluoro-8-methylquinazoline;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-2-fluoro-8-methylquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-methylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine

C89H98BBrCl2F5N13O11S3 — CID 167587701

About 6-bromo-2-fluoro-8-methylquinazoline;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-2-fluoro-8-methylquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-methylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine

6-bromo-2-fluoro-8-methylquinazoline;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-2-fluoro-8-methylquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-methylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine (PubChem CID 167587701) has the molecular formula C89H98BBrCl2F5N13O11S3 and a molecular weight of 1878.66 g/mol. Its IUPAC name is 6-bromo-2-fluoro-8-methylquinazoline;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-2-fluoro-8-methylquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-methylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine.

Molecular Properties

• Compound Name: 6-bromo-2-fluoro-8-methylquinazoline;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-2-fluoro-8-methylquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-methylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine
• PubChem CID: 167587701
• Molecular Formula: C89H98BBrCl2F5N13O11S3
• Molecular Weight: 1878.66 g/mol
• Exact Mass: 1875.52
• IUPAC Name: 6-bromo-2-fluoro-8-methylquinazoline;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-2-fluoro-8-methylquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-methylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine
• SMILES: CN(C)C1CCC(N)CC1.COc1nc(CS(=O)(=O)c2ccccc2C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(C)c2nc(F)ncc2c1.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(C)c2nc(NC3CCC(N(C)C)CC3)ncc2c1.Cc1cc(Br)cc2cnc(F)nc12
• InChI: InChI=1S/C30H34ClN5O3S.C22H17ClFN3O3S.C20H23BF3NO5S.C9H6BrFN2.C8H18N2/c1-19-15-20(16-21-17-32-30(35-28(19)21)34-22-9-12-24(13-10-22)36(2)3)25-14-11-23(33-29(25)39-4)18-40(37,38)27-8-6-5-7-26(27)31;1-13-9-14(10-15-11-25-22(24)27-20(13)15)17-8-7-16(26-21(17)30-2)12-31(28,29)19-6-4-3-5-18(19)23;1-18(2)19(3,4)30-21(29-18)15-11-10-13(25-17(15)28-5)12-31(26,27)16-9-7-6-8-14(16)20(22,23)24;1-5-2-7(10)3-6-4-12-9(11)13-8(5)6;1-10(2)8-5-3-7(9)4-6-8/h5-8,11,14-17,22,24H,9-10,12-13,18H2,1-4H3,(H,32,34,35);3-11H,12H2,1-2H3;6-11H,12H2,1-5H3;2-4H,1H3;7-8H,3-6,9H2,1-2H3
• InChIKey: IAAAGHOTXAIBQV-UHFFFAOYSA-N
• XLogP: 17.74
• TPSA: 309.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1878.66
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	2
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 6-bromo-2-fluoro-8-methylquinazoline;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-2-fluoro-8-methylquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-methylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine?

The IUPAC name of 6-bromo-2-fluoro-8-methylquinazoline;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-2-fluoro-8-methylquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-methylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine (CID 167587701) is 6-bromo-2-fluoro-8-methylquinazoline;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-2-fluoro-8-methylquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-methylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine.

What is the SMILES notation for 6-bromo-2-fluoro-8-methylquinazoline;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-2-fluoro-8-methylquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-methylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine?

The canonical SMILES for 6-bromo-2-fluoro-8-methylquinazoline;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-2-fluoro-8-methylquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-methylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine is CN(C)C1CCC(N)CC1.COc1nc(CS(=O)(=O)c2ccccc2C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(C)c2nc(F)ncc2c1.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(C)c2nc(NC3CCC(N(C)C)CC3)ncc2c1.Cc1cc(Br)cc2cnc(F)nc12.

What is the InChIKey of 6-bromo-2-fluoro-8-methylquinazoline;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-2-fluoro-8-methylquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-methylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine?

The InChIKey is IAAAGHOTXAIBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN5O3S.C22H17ClFN3O3S.C20H23BF3NO5S.C9H6BrFN2.C8H18N2/c1-19-15-20(16-21-17-32-30(35-28(19)21)34-22-9-12-24(13-10-22)36(2)3)25-14-11-23(33-29(25)39-4)18-40(37,38)27-8-6-5-7-26(27)31;1-13-9-14(10-15-11-25-22(24)27-20(13)15)17-8-7-16(26-21(17)30-2)12-31(28,29)19-6-4-3-5-18(19)23;1-18(2)19(3,4)30-21(29-18)15-11-10-13(25-17(15)28-5)12-31(26,27)16-9-7-6-8-14(16)20(22,23)24;1-5-2-7(10)3-6-4-12-9(11)13-8(5)6;1-10(2)8-5-3-7(9)4-6-8/h5-8,11,14-17,22,24H,9-10,12-13,18H2,1-4H3,(H,32,34,35);3-11H,12H2,1-2H3;6-11H,12H2,1-5H3;2-4H,1H3;7-8H,3-6,9H2,1-2H3.

What are the key properties of 6-bromo-2-fluoro-8-methylquinazoline;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-2-fluoro-8-methylquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-methylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine?

6-bromo-2-fluoro-8-methylquinazoline;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-2-fluoro-8-methylquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-methylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine has a molecular weight of 1878.66 g/mol, XLogP of 17.74, 19 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-fluoro-8-methylquinazoline;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-2-fluoro-8-methylquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-methylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine is sourced from PubChem (CID 167587701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).