6-bromo-2-chloro-8-fluoroquinazoline;2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane

C87H97BBrCl5F3N13O11S3 — CID 158072871

About 6-bromo-2-chloro-8-fluoroquinazoline;2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane

6-bromo-2-chloro-8-fluoroquinazoline;2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane (PubChem CID 158072871) has the molecular formula C87H97BBrCl5F3N13O11S3 and a molecular weight of 1921.99 g/mol. Its IUPAC name is 6-bromo-2-chloro-8-fluoroquinazoline;2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane.

Molecular Properties

• Compound Name: 6-bromo-2-chloro-8-fluoroquinazoline;2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane
• PubChem CID: 158072871
• Molecular Formula: C87H97BBrCl5F3N13O11S3
• Molecular Weight: 1921.99 g/mol
• Exact Mass: 1917.43
• IUPAC Name: 6-bromo-2-chloro-8-fluoroquinazoline;2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane
• SMILES: C.C.CN(C)C1CCC(N)CC1.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(F)c2nc(Cl)ncc2c1.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(F)c2nc(NC3CCC(N(C)C)CC3)ncc2c1.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1B1OC(C)(C)C(C)(C)O1.Fc1cc(Br)cc2cnc(Cl)nc12
• InChI: InChI=1S/C29H31ClFN5O3S.C21H14Cl2FN3O3S.C19H23BClNO5S.C8H3BrClFN2.C8H18N2.2CH4/c1-36(2)22-11-8-20(9-12-22)34-29-32-16-19-14-18(15-25(31)27(19)35-29)23-13-10-21(33-28(23)39-3)17-40(37,38)26-7-5-4-6-24(26)30;1-30-20-15(12-8-13-10-25-21(23)27-19(13)17(24)9-12)7-6-14(26-20)11-31(28,29)18-5-3-2-4-16(18)22;1-18(2)19(3,4)27-20(26-18)14-11-10-13(22-17(14)25-5)12-28(23,24)16-9-7-6-8-15(16)21;9-5-1-4-3-12-8(10)13-7(4)6(11)2-5;1-10(2)8-5-3-7(9)4-6-8;;/h4-7,10,13-16,20,22H,8-9,11-12,17H2,1-3H3,(H,32,34,35);2-10H,11H2,1H3;6-11H,12H2,1-5H3;1-3H;7-8H,3-6,9H2,1-2H3;2*1H4
• InChIKey: FMADZVRXJDHMOE-UHFFFAOYSA-N
• XLogP: 19.16
• TPSA: 309.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1921.99
LogP ≤ 5	19.16
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-chloro-8-fluoroquinazoline;2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane?

The IUPAC name of 6-bromo-2-chloro-8-fluoroquinazoline;2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane (CID 158072871) is 6-bromo-2-chloro-8-fluoroquinazoline;2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane.

What is the SMILES notation for 6-bromo-2-chloro-8-fluoroquinazoline;2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane?

The canonical SMILES for 6-bromo-2-chloro-8-fluoroquinazoline;2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane is C.C.CN(C)C1CCC(N)CC1.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(F)c2nc(Cl)ncc2c1.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(F)c2nc(NC3CCC(N(C)C)CC3)ncc2c1.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1B1OC(C)(C)C(C)(C)O1.Fc1cc(Br)cc2cnc(Cl)nc12.

What is the InChIKey of 6-bromo-2-chloro-8-fluoroquinazoline;2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane?

The InChIKey is FMADZVRXJDHMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClFN5O3S.C21H14Cl2FN3O3S.C19H23BClNO5S.C8H3BrClFN2.C8H18N2.2CH4/c1-36(2)22-11-8-20(9-12-22)34-29-32-16-19-14-18(15-25(31)27(19)35-29)23-13-10-21(33-28(23)39-3)17-40(37,38)26-7-5-4-6-24(26)30;1-30-20-15(12-8-13-10-25-21(23)27-19(13)17(24)9-12)7-6-14(26-20)11-31(28,29)18-5-3-2-4-16(18)22;1-18(2)19(3,4)27-20(26-18)14-11-10-13(22-17(14)25-5)12-28(23,24)16-9-7-6-8-15(16)21;9-5-1-4-3-12-8(10)13-7(4)6(11)2-5;1-10(2)8-5-3-7(9)4-6-8;;/h4-7,10,13-16,20,22H,8-9,11-12,17H2,1-3H3,(H,32,34,35);2-10H,11H2,1H3;6-11H,12H2,1-5H3;1-3H;7-8H,3-6,9H2,1-2H3;2*1H4.

What are the key properties of 6-bromo-2-chloro-8-fluoroquinazoline;2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane?

6-bromo-2-chloro-8-fluoroquinazoline;2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane has a molecular weight of 1921.99 g/mol, XLogP of 19.16, 19 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-chloro-8-fluoroquinazoline;2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane is sourced from PubChem (CID 158072871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).