2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;toluene

C113H103Cl4FN8O3 — CID 161065973

About 2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;toluene

2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;toluene (PubChem CID 161065973) has the molecular formula C113H103Cl4FN8O3 and a molecular weight of 1781.93 g/mol. Its IUPAC name is 2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;toluene.

Molecular Properties

• Compound Name: 2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;toluene
• PubChem CID: 161065973
• Molecular Formula: C113H103Cl4FN8O3
• Molecular Weight: 1781.93 g/mol
• Exact Mass: 1778.69
• IUPAC Name: 2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;toluene
• SMILES: COc1ccc(C)c(C(=O)Nc2ccncc2)c1.Cc1ccc(F)c(C(N)=NO)c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2cccnc2c1.Cc1ccc2ncccc2c1.Cc1cccc2cc(Cl)ccc12.Cc1cccc2ccc(Cl)cc12.Cc1ccccc1.Cc1ccnc2ccccc12.Cc1cnc2ccccc2c1
• InChI: InChI=1S/C14H14N2O2.4C11H9Cl.4C10H9N.C8H9FN2O.C7H8/c1-10-3-4-12(18-2)9-13(10)14(17)16-11-5-7-15-8-6-11;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-3-2-4-9-7-10(12)5-6-11(8)9;1-8-3-2-4-9-5-6-10(12)7-11(8)9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-5-2-3-7(9)6(4-5)8(10)11-12;1-7-5-3-2-4-6-7/h3-9H,1-2H3,(H,15,16,17);4*2-7H,1H3;4*2-7H,1H3;2-4,12H,1H3,(H2,10,11);2-6H,1H3
• InChIKey: UEAIVYUBERFAOX-UHFFFAOYSA-N
• XLogP: 31.25
• TPSA: 161.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1781.93
LogP ≤ 5	31.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;toluene?

The IUPAC name of 2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;toluene (CID 161065973) is 2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;toluene.

What is the SMILES notation for 2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;toluene?

The canonical SMILES for 2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;toluene is COc1ccc(C)c(C(=O)Nc2ccncc2)c1.Cc1ccc(F)c(C(N)=NO)c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2cccnc2c1.Cc1ccc2ncccc2c1.Cc1cccc2cc(Cl)ccc12.Cc1cccc2ccc(Cl)cc12.Cc1ccccc1.Cc1ccnc2ccccc12.Cc1cnc2ccccc2c1.

What is the InChIKey of 2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;toluene?

The InChIKey is UEAIVYUBERFAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2.4C11H9Cl.4C10H9N.C8H9FN2O.C7H8/c1-10-3-4-12(18-2)9-13(10)14(17)16-11-5-7-15-8-6-11;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-3-2-4-9-7-10(12)5-6-11(8)9;1-8-3-2-4-9-5-6-10(12)7-11(8)9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-5-2-3-7(9)6(4-5)8(10)11-12;1-7-5-3-2-4-6-7/h3-9H,1-2H3,(H,15,16,17);4*2-7H,1H3;4*2-7H,1H3;2-4,12H,1H3,(H2,10,11);2-6H,1H3.

What are the key properties of 2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;toluene?

2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;toluene has a molecular weight of 1781.93 g/mol, XLogP of 31.25, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;toluene is sourced from PubChem (CID 161065973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).