6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine

C90H100BBrCl3F5N14O8S3 — CID 167704496

About 6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine

6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 167704496) has the molecular formula C90H100BBrCl3F5N14O8S3 and a molecular weight of 1894.15 g/mol. Its IUPAC name is 6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

• Compound Name: 6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine
• PubChem CID: 167704496
• Molecular Formula: C90H100BBrCl3F5N14O8S3
• Molecular Weight: 1894.15 g/mol
• Exact Mass: 1890.53
• IUPAC Name: 6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine
• SMILES: CCc1c(F)c(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(F)nc12.CCc1c(F)c(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(NC3CCC(N(C)C)CC3)nc12.CCc1c(F)c(Br)cc2cnc(F)nc12.CN(C)C1CCC(N)CC1.Cc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C31H35ClFN5O2S.C23H18ClF2N3O2S.C18H22BClN2O4S.C10H7BrF2N2.C8H18N2/c1-5-24-29(33)26(16-20-17-34-31(37-30(20)24)36-21-10-13-23(14-11-21)38(3)4)25-15-12-22(35-19(25)2)18-41(39,40)28-9-7-6-8-27(28)32;1-3-16-21(25)18(10-14-11-27-23(26)29-22(14)16)17-9-8-15(28-13(17)2)12-32(30,31)20-7-5-4-6-19(20)24;1-12-13(19-25-17(2,3)18(4,5)26-19)10-11-16(21-12)22-27(23,24)15-9-7-6-8-14(15)20;1-2-6-8(12)7(11)3-5-4-14-10(13)15-9(5)6;1-10(2)8-5-3-7(9)4-6-8/h6-9,12,15-17,21,23H,5,10-11,13-14,18H2,1-4H3,(H,34,36,37);4-11H,3,12H2,1-2H3;6-11H,1-5H3,(H,21,22);3-4H,2H2,1H3;7-8H,3-6,9H2,1-2H3
• InChIKey: YWXFOQZYNUEJCJ-UHFFFAOYSA-N
• XLogP: 19.28
• TPSA: 293.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.15
LogP ≤ 5	19.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine?

The IUPAC name of 6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine (CID 167704496) is 6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine.

What is the SMILES notation for 6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine?

The canonical SMILES for 6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine is CCc1c(F)c(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(F)nc12.CCc1c(F)c(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(NC3CCC(N(C)C)CC3)nc12.CCc1c(F)c(Br)cc2cnc(F)nc12.CN(C)C1CCC(N)CC1.Cc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine?

The InChIKey is YWXFOQZYNUEJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35ClFN5O2S.C23H18ClF2N3O2S.C18H22BClN2O4S.C10H7BrF2N2.C8H18N2/c1-5-24-29(33)26(16-20-17-34-31(37-30(20)24)36-21-10-13-23(14-11-21)38(3)4)25-15-12-22(35-19(25)2)18-41(39,40)28-9-7-6-8-27(28)32;1-3-16-21(25)18(10-14-11-27-23(26)29-22(14)16)17-9-8-15(28-13(17)2)12-32(30,31)20-7-5-4-6-19(20)24;1-12-13(19-25-17(2,3)18(4,5)26-19)10-11-16(21-12)22-27(23,24)15-9-7-6-8-14(15)20;1-2-6-8(12)7(11)3-5-4-14-10(13)15-9(5)6;1-10(2)8-5-3-7(9)4-6-8/h6-9,12,15-17,21,23H,5,10-11,13-14,18H2,1-4H3,(H,34,36,37);4-11H,3,12H2,1-2H3;6-11H,1-5H3,(H,21,22);3-4H,2H2,1H3;7-8H,3-6,9H2,1-2H3.

What are the key properties of 6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine?

6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 1894.15 g/mol, XLogP of 19.28, 19 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 167704496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).