8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene

C107H105ClF3N11O3 — CID 159020483

About 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene

8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene (PubChem CID 159020483) has the molecular formula C107H105ClF3N11O3 and a molecular weight of 1685.54 g/mol. Its IUPAC name is 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene.

Molecular Properties

• Compound Name: 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene
• PubChem CID: 159020483
• Molecular Formula: C107H105ClF3N11O3
• Molecular Weight: 1685.54 g/mol
• Exact Mass: 1683.80
• IUPAC Name: 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene
• SMILES: COc1cc(C)cc2cccnc12.Cc1cc(C(F)(F)F)c2ncccc2c1.Cc1cc(C)c2ccccc2n1.Cc1cc(C)c2ncccc2c1.Cc1cc(Cl)c2ncccc2c1.Cc1ccc(C)cc1.Cc1ccc([N+](=O)[O-])cc1.Cc1ccc2ncccc2c1.Cc1cccc2ncccc12.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1
• InChI: InChI=1S/C11H8F3N.C11H11NO.2C11H11N.C10H8ClN.2C10H9N.C8H10.C7H7NO2.3C6H7N/c1-7-5-8-3-2-4-15-10(8)9(6-7)11(12,13)14;1-8-6-9-4-3-5-12-11(9)10(7-8)13-2;1-8-6-9(2)11-10(7-8)4-3-5-12-11;1-8-7-9(2)12-11-6-4-3-5-10(8)11;1-7-5-8-3-2-4-12-10(8)9(11)6-7;1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-4-5-10-9(7-8)3-2-6-11-10;1-7-3-5-8(2)6-4-7;1-6-2-4-7(5-3-6)8(9)10;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h2-6H,1H3;3-7H,1-2H3;2*3-7H,1-2H3;2-6H,1H3;2*2-7H,1H3;3-6H,1-2H3;2-5H,1H3;3*2-5H,1H3
• InChIKey: JTPYFHOFAZFUKO-UHFFFAOYSA-N
• XLogP: 28.48
• TPSA: 181.27 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 2
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1685.54
LogP ≤ 5	28.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene?

The IUPAC name of 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene (CID 159020483) is 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene.

What is the SMILES notation for 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene?

The canonical SMILES for 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene is COc1cc(C)cc2cccnc12.Cc1cc(C(F)(F)F)c2ncccc2c1.Cc1cc(C)c2ccccc2n1.Cc1cc(C)c2ncccc2c1.Cc1cc(Cl)c2ncccc2c1.Cc1ccc(C)cc1.Cc1ccc([N+](=O)[O-])cc1.Cc1ccc2ncccc2c1.Cc1cccc2ncccc12.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.

What is the InChIKey of 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene?

The InChIKey is JTPYFHOFAZFUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N.C11H11NO.2C11H11N.C10H8ClN.2C10H9N.C8H10.C7H7NO2.3C6H7N/c1-7-5-8-3-2-4-15-10(8)9(6-7)11(12,13)14;1-8-6-9-4-3-5-12-11(9)10(7-8)13-2;1-8-6-9(2)11-10(7-8)4-3-5-12-11;1-8-7-9(2)12-11-6-4-3-5-10(8)11;1-7-5-8-3-2-4-12-10(8)9(11)6-7;1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-4-5-10-9(7-8)3-2-6-11-10;1-7-3-5-8(2)6-4-7;1-6-2-4-7(5-3-6)8(9)10;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h2-6H,1H3;3-7H,1-2H3;2*3-7H,1-2H3;2-6H,1H3;2*2-7H,1H3;3-6H,1-2H3;2-5H,1H3;3*2-5H,1H3.

What are the key properties of 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene?

8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene has a molecular weight of 1685.54 g/mol, XLogP of 28.48, 2 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene is sourced from PubChem (CID 159020483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).