6-bromo-8-ethyl-2-fluoroquinazoline;6-bromo-8-ethylquinazolin-2-amine;2-chlorobenzenesulfinate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C96H106BBr2Cl3F2N17O11S3- — CID 158430412

About 6-bromo-8-ethyl-2-fluoroquinazoline;6-bromo-8-ethylquinazolin-2-amine;2-chlorobenzenesulfinate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

6-bromo-8-ethyl-2-fluoroquinazoline;6-bromo-8-ethylquinazolin-2-amine;2-chlorobenzenesulfinate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 158430412) has the molecular formula C96H106BBr2Cl3F2N17O11S3- and a molecular weight of 2085.19 g/mol. Its IUPAC name is 6-bromo-8-ethyl-2-fluoroquinazoline;6-bromo-8-ethylquinazolin-2-amine;2-chlorobenzenesulfinate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 6-bromo-8-ethyl-2-fluoroquinazoline;6-bromo-8-ethylquinazolin-2-amine;2-chlorobenzenesulfinate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 158430412
• Molecular Formula: C96H106BBr2Cl3F2N17O11S3-
• Molecular Weight: 2085.19 g/mol
• Exact Mass: 2080.49
• IUPAC Name: 6-bromo-8-ethyl-2-fluoroquinazoline;6-bromo-8-ethylquinazolin-2-amine;2-chlorobenzenesulfinate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(N)CC3)nc12.CCc1cc(Br)cc2cnc(F)nc12.CCc1cc(Br)cc2cnc(N)nc12.COc1nc(N)ccc1B1OC(C)(C)C(C)(C)O1.NC1CCC(N)CC1.O=S([O-])c1ccccc1Cl
• InChI: InChI=1S/C29H32ClN5O3S.C23H19ClFN3O3S.C12H19BN2O3.C10H8BrFN2.C10H10BrN3.C6H5ClO2S.C6H14N2/c1-3-18-14-19(15-20-16-32-29(35-27(18)20)34-22-10-8-21(31)9-11-22)24-13-12-23(33-28(24)38-2)17-39(36,37)26-7-5-4-6-25(26)30;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;1-11(2)12(3,4)18-13(17-11)8-6-7-9(14)15-10(8)16-5;2*1-2-6-3-8(11)4-7-5-13-10(12)14-9(6)7;7-5-3-1-2-4-6(5)10(8)9;7-5-1-2-6(8)4-3-5/h4-7,12-16,21-22H,3,8-11,17,31H2,1-2H3,(H,32,34,35);4-12H,3,13H2,1-2H3;6-7H,1-5H3,(H2,14,15);3-5H,2H2,1H3;3-5H,2H2,1H3,(H2,12,13,14);1-4H,(H,8,9);5-6H,1-4,7-8H2/p-1
• InChIKey: UTRXZWOPEZZAIC-UHFFFAOYSA-M
• XLogP: 19.00
• TPSA: 438.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2085.19
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-2-fluoroquinazoline;6-bromo-8-ethylquinazolin-2-amine;2-chlorobenzenesulfinate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of 6-bromo-8-ethyl-2-fluoroquinazoline;6-bromo-8-ethylquinazolin-2-amine;2-chlorobenzenesulfinate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 158430412) is 6-bromo-8-ethyl-2-fluoroquinazoline;6-bromo-8-ethylquinazolin-2-amine;2-chlorobenzenesulfinate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for 6-bromo-8-ethyl-2-fluoroquinazoline;6-bromo-8-ethylquinazolin-2-amine;2-chlorobenzenesulfinate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for 6-bromo-8-ethyl-2-fluoroquinazoline;6-bromo-8-ethylquinazolin-2-amine;2-chlorobenzenesulfinate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(N)CC3)nc12.CCc1cc(Br)cc2cnc(F)nc12.CCc1cc(Br)cc2cnc(N)nc12.COc1nc(N)ccc1B1OC(C)(C)C(C)(C)O1.NC1CCC(N)CC1.O=S([O-])c1ccccc1Cl.

What is the InChIKey of 6-bromo-8-ethyl-2-fluoroquinazoline;6-bromo-8-ethylquinazolin-2-amine;2-chlorobenzenesulfinate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is UTRXZWOPEZZAIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H32ClN5O3S.C23H19ClFN3O3S.C12H19BN2O3.C10H8BrFN2.C10H10BrN3.C6H5ClO2S.C6H14N2/c1-3-18-14-19(15-20-16-32-29(35-27(18)20)34-22-10-8-21(31)9-11-22)24-13-12-23(33-28(24)38-2)17-39(36,37)26-7-5-4-6-25(26)30;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;1-11(2)12(3,4)18-13(17-11)8-6-7-9(14)15-10(8)16-5;2*1-2-6-3-8(11)4-7-5-13-10(12)14-9(6)7;7-5-3-1-2-4-6(5)10(8)9;7-5-1-2-6(8)4-3-5/h4-7,12-16,21-22H,3,8-11,17,31H2,1-2H3,(H,32,34,35);4-12H,3,13H2,1-2H3;6-7H,1-5H3,(H2,14,15);3-5H,2H2,1H3;3-5H,2H2,1H3,(H2,12,13,14);1-4H,(H,8,9);5-6H,1-4,7-8H2/p-1.

What are the key properties of 6-bromo-8-ethyl-2-fluoroquinazoline;6-bromo-8-ethylquinazolin-2-amine;2-chlorobenzenesulfinate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

6-bromo-8-ethyl-2-fluoroquinazoline;6-bromo-8-ethylquinazolin-2-amine;2-chlorobenzenesulfinate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 2085.19 g/mol, XLogP of 19.00, 19 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-ethyl-2-fluoroquinazoline;6-bromo-8-ethylquinazolin-2-amine;2-chlorobenzenesulfinate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 158430412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).