2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-chloro-6-methylquinoline;3,6-dimethyl-1H-indole;2-methoxy-6-methylnaphthalene

C71H63Cl5N4OS — CID 158211487

About 2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-chloro-6-methylquinoline;3,6-dimethyl-1H-indole;2-methoxy-6-methylnaphthalene

2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-chloro-6-methylquinoline;3,6-dimethyl-1H-indole;2-methoxy-6-methylnaphthalene (PubChem CID 158211487) has the molecular formula C71H63Cl5N4OS and a molecular weight of 1197.64 g/mol. Its IUPAC name is 2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-chloro-6-methylquinoline;3,6-dimethyl-1H-indole;2-methoxy-6-methylnaphthalene.

Molecular Properties

• Compound Name: 2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-chloro-6-methylquinoline;3,6-dimethyl-1H-indole;2-methoxy-6-methylnaphthalene
• PubChem CID: 158211487
• Molecular Formula: C71H63Cl5N4OS
• Molecular Weight: 1197.64 g/mol
• Exact Mass: 1194.32
• IUPAC Name: 2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-chloro-6-methylquinoline;3,6-dimethyl-1H-indole;2-methoxy-6-methylnaphthalene
• SMILES: COc1ccc2cc(C)ccc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2cc(Cl)sc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2nc(Cl)ccc2c1
• InChI: InChI=1S/C12H12O.C11H9Cl.2C10H8ClN.C10H11N.C9H8ClN.C9H7ClS/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-5-10(11)12-6-9(8)4-7;1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-2-3-7-5-9(10)11-8(7)4-6/h3-8H,1-2H3;2-7H,1H3;2*2-6H,1H3;3-6,11H,1-2H3;2-5,11H,1H3;2-5H,1H3
• InChIKey: GCDBZFXZKNETBA-UHFFFAOYSA-N
• XLogP: 23.13
• TPSA: 66.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1197.64
LogP ≤ 5	23.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-chloro-6-methylquinoline;3,6-dimethyl-1H-indole;2-methoxy-6-methylnaphthalene?

The IUPAC name of 2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-chloro-6-methylquinoline;3,6-dimethyl-1H-indole;2-methoxy-6-methylnaphthalene (CID 158211487) is 2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-chloro-6-methylquinoline;3,6-dimethyl-1H-indole;2-methoxy-6-methylnaphthalene.

What is the SMILES notation for 2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-chloro-6-methylquinoline;3,6-dimethyl-1H-indole;2-methoxy-6-methylnaphthalene?

The canonical SMILES for 2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-chloro-6-methylquinoline;3,6-dimethyl-1H-indole;2-methoxy-6-methylnaphthalene is COc1ccc2cc(C)ccc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2cc(Cl)sc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2nc(Cl)ccc2c1.

What is the InChIKey of 2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-chloro-6-methylquinoline;3,6-dimethyl-1H-indole;2-methoxy-6-methylnaphthalene?

The InChIKey is GCDBZFXZKNETBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C11H9Cl.2C10H8ClN.C10H11N.C9H8ClN.C9H7ClS/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-5-10(11)12-6-9(8)4-7;1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-2-3-7-5-9(10)11-8(7)4-6/h3-8H,1-2H3;2-7H,1H3;2*2-6H,1H3;3-6,11H,1-2H3;2-5,11H,1H3;2-5H,1H3.

What are the key properties of 2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-chloro-6-methylquinoline;3,6-dimethyl-1H-indole;2-methoxy-6-methylnaphthalene?

2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-chloro-6-methylquinoline;3,6-dimethyl-1H-indole;2-methoxy-6-methylnaphthalene has a molecular weight of 1197.64 g/mol, XLogP of 23.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-chloro-6-methylquinoline;3,6-dimethyl-1H-indole;2-methoxy-6-methylnaphthalene is sourced from PubChem (CID 158211487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).