6-bromo-2-fluoro-8-methylquinazoline;6-bromo-8-methylquinazolin-2-amine;2-chlorobenzenesulfinate;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;methane;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C100H122BBr2Cl3F2N17O11S3- — CID 158415310

About 6-bromo-2-fluoro-8-methylquinazoline;6-bromo-8-methylquinazolin-2-amine;2-chlorobenzenesulfinate;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;methane;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

6-bromo-2-fluoro-8-methylquinazoline;6-bromo-8-methylquinazolin-2-amine;2-chlorobenzenesulfinate;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;methane;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 158415310) has the molecular formula C100H122BBr2Cl3F2N17O11S3- and a molecular weight of 2149.36 g/mol. Its IUPAC name is 6-bromo-2-fluoro-8-methylquinazoline;6-bromo-8-methylquinazolin-2-amine;2-chlorobenzenesulfinate;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;methane;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 6-bromo-2-fluoro-8-methylquinazoline;6-bromo-8-methylquinazolin-2-amine;2-chlorobenzenesulfinate;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;methane;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 158415310
• Molecular Formula: C100H122BBr2Cl3F2N17O11S3-
• Molecular Weight: 2149.36 g/mol
• Exact Mass: 2144.62
• IUPAC Name: 6-bromo-2-fluoro-8-methylquinazoline;6-bromo-8-methylquinazolin-2-amine;2-chlorobenzenesulfinate;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;methane;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: C.C.C.C.CN(C)C1CCC(N)CC1.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.COc1nc(N)ccc1B1OC(C)(C)C(C)(C)O1.Cc1cc(Br)cc2cnc(F)nc12.Cc1cc(Br)cc2cnc(N)nc12.O=S([O-])c1ccccc1Cl
• InChI: InChI=1S/C30H34ClN5O3S.C22H17ClFN3O3S.C12H19BN2O3.C9H6BrFN2.C9H8BrN3.C8H18N2.C6H5ClO2S.4CH4/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;1-11(2)12(3,4)18-13(17-11)8-6-7-9(14)15-10(8)16-5;2*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;7-5-3-1-2-4-6(5)10(8)9;;;;/h5-8,11,14-17,22,24H,9-10,12-13,18H2,1-4H3,(H,32,34,35);3-11H,12H2,1-2H3;6-7H,1-5H3,(H2,14,15);2-4H,1H3;2-4H,1H3,(H2,11,12,13);7-8H,3-6,9H2,1-2H3;1-4H,(H,8,9);4*1H4/p-1
• InChIKey: CMUXHKPGNXQPBW-UHFFFAOYSA-M
• XLogP: 21.73
• TPSA: 392.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2149.36
LogP ≤ 5	21.73
H-Bond Donors ≤ 5	4
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-2-fluoro-8-methylquinazoline;6-bromo-8-methylquinazolin-2-amine;2-chlorobenzenesulfinate;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;methane;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of 6-bromo-2-fluoro-8-methylquinazoline;6-bromo-8-methylquinazolin-2-amine;2-chlorobenzenesulfinate;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;methane;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 158415310) is 6-bromo-2-fluoro-8-methylquinazoline;6-bromo-8-methylquinazolin-2-amine;2-chlorobenzenesulfinate;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;methane;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-2-fluoro-8-methylquinazoline;6-bromo-8-methylquinazolin-2-amine;2-chlorobenzenesulfinate;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;methane;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for 6-bromo-2-fluoro-8-methylquinazoline;6-bromo-8-methylquinazolin-2-amine;2-chlorobenzenesulfinate;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;methane;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is C.C.C.C.CN(C)C1CCC(N)CC1.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.COc1nc(N)ccc1B1OC(C)(C)C(C)(C)O1.Cc1cc(Br)cc2cnc(F)nc12.Cc1cc(Br)cc2cnc(N)nc12.O=S([O-])c1ccccc1Cl.

What is the InChIKey of 6-bromo-2-fluoro-8-methylquinazoline;6-bromo-8-methylquinazolin-2-amine;2-chlorobenzenesulfinate;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;methane;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is CMUXHKPGNXQPBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H34ClN5O3S.C22H17ClFN3O3S.C12H19BN2O3.C9H6BrFN2.C9H8BrN3.C8H18N2.C6H5ClO2S.4CH4/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;1-11(2)12(3,4)18-13(17-11)8-6-7-9(14)15-10(8)16-5;2*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;7-5-3-1-2-4-6(5)10(8)9;;;;/h5-8,11,14-17,22,24H,9-10,12-13,18H2,1-4H3,(H,32,34,35);3-11H,12H2,1-2H3;6-7H,1-5H3,(H2,14,15);2-4H,1H3;2-4H,1H3,(H2,11,12,13);7-8H,3-6,9H2,1-2H3;1-4H,(H,8,9);4*1H4/p-1.

What are the key properties of 6-bromo-2-fluoro-8-methylquinazoline;6-bromo-8-methylquinazolin-2-amine;2-chlorobenzenesulfinate;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;methane;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

6-bromo-2-fluoro-8-methylquinazoline;6-bromo-8-methylquinazolin-2-amine;2-chlorobenzenesulfinate;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;methane;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 2149.36 g/mol, XLogP of 21.73, 17 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-fluoro-8-methylquinazoline;6-bromo-8-methylquinazolin-2-amine;2-chlorobenzenesulfinate;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;methane;6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 158415310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).