2-methyl-1-benzofuran;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;3-methyl-2H-chromene;3-methylcinnoline;3-methyl-2H-indazole;2-methyl-1H-indene;3-methyl-1H-indene;1-methylindole;2-methyl-1H-indole;2-methylindolizine;2-methylisoindole;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;2-methylquinazoline;2-methylquinoline;3-methylquinolizin-5-ium;2-methylquinoxaline

C205H192N23O3S+ — CID 158658990

About 2-methyl-1-benzofuran;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;3-methyl-2H-chromene;3-methylcinnoline;3-methyl-2H-indazole;2-methyl-1H-indene;3-methyl-1H-indene;1-methylindole;2-methyl-1H-indole;2-methylindolizine;2-methylisoindole;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;2-methylquinazoline;2-methylquinoline;3-methylquinolizin-5-ium;2-methylquinoxaline

2-methyl-1-benzofuran;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;3-methyl-2H-chromene;3-methylcinnoline;3-methyl-2H-indazole;2-methyl-1H-indene;3-methyl-1H-indene;1-methylindole;2-methyl-1H-indole;2-methylindolizine;2-methylisoindole;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;2-methylquinazoline;2-methylquinoline;3-methylquinolizin-5-ium;2-methylquinoxaline (PubChem CID 158658990) has the molecular formula C205H192N23O3S+ and a molecular weight of 3058.02 g/mol. Its IUPAC name is 2-methyl-1-benzofuran;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;3-methyl-2H-chromene;3-methylcinnoline;3-methyl-2H-indazole;2-methyl-1H-indene;3-methyl-1H-indene;1-methylindole;2-methyl-1H-indole;2-methylindolizine;2-methylisoindole;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;2-methylquinazoline;2-methylquinoline;3-methylquinolizin-5-ium;2-methylquinoxaline.

Molecular Properties

• Compound Name: 2-methyl-1-benzofuran;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;3-methyl-2H-chromene;3-methylcinnoline;3-methyl-2H-indazole;2-methyl-1H-indene;3-methyl-1H-indene;1-methylindole;2-methyl-1H-indole;2-methylindolizine;2-methylisoindole;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;2-methylquinazoline;2-methylquinoline;3-methylquinolizin-5-ium;2-methylquinoxaline
• PubChem CID: 158658990
• Molecular Formula: C205H192N23O3S+
• Molecular Weight: 3058.02 g/mol
• Exact Mass: 3055.53
• IUPAC Name: 2-methyl-1-benzofuran;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;3-methyl-2H-chromene;3-methylcinnoline;3-methyl-2H-indazole;2-methyl-1H-indene;3-methyl-1H-indene;1-methylindole;2-methyl-1H-indole;2-methylindolizine;2-methylisoindole;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;2-methylquinazoline;2-methylquinoline;3-methylquinolizin-5-ium;2-methylquinoxaline
• SMILES: CC1=CCc2ccccc21.CC1=Cc2ccccc2C1.CC1=Cc2ccccc2OC1.Cc1[nH]nc2ccccc12.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1cc2ccccc2nn1.Cc1cc2ccccc2o1.Cc1cc2ccccn2c1.Cc1ccc2cccc[n+]2c1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2n1.Cc1ccc2cccnc2n1.Cc1cccc2ccccc12.Cc1cnc2ccccc2n1.Cc1coc2ccccc12.Cc1csc2ccccc12.Cc1ncc2ccccc2n1.Cc1ncc2nccnc2n1.Cc1nncc2ccccc12.Cn1cc2ccccc2c1.Cn1ccc2ccccc21
• InChI: InChI=1S/2C11H10.C10H10N.2C10H9N.C10H10O.2C10H10.5C9H8N2.4C9H9N.2C9H8O.C9H8S.C8H8N2.C7H6N4/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-9-5-6-10-4-2-3-7-11(10)8-9;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-9-4-2-3-5-10(9)7-8;1-8-6-7-9-4-2-3-5-10(8)9;1-7-4-5-8-3-2-6-10-9(8)11-7;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-9-5-3-2-4-8(9)6-10-11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-6-8-4-2-3-5-9(8)11-10-7;1-10-6-8-4-2-3-5-9(8)7-10;1-8-6-9-4-2-3-5-10(9)7-8;1-10-7-6-8-4-2-3-5-9(8)10;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-6-7-4-2-3-5-8(7)10-9-6;1-5-10-4-6-7(11-5)9-3-2-8-6/h3*2-8H,1H3;2*2-7H,1H3;2-6H,7H2,1H3;2*2-6H,7H2,1H3;5*2-6H,1H3;3*2-7H,1H3;2-6,10H,1H3;3*2-6H,1H3;2-5H,1H3,(H,9,10);2-4H,1H3/q;;+1
• InChIKey: CLMBXCHKEFSEJZ-UHFFFAOYSA-N
• XLogP: 50.95
• TPSA: 304.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3058.02
LogP ≤ 5	50.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-benzofuran;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;3-methyl-2H-chromene;3-methylcinnoline;3-methyl-2H-indazole;2-methyl-1H-indene;3-methyl-1H-indene;1-methylindole;2-methyl-1H-indole;2-methylindolizine;2-methylisoindole;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;2-methylquinazoline;2-methylquinoline;3-methylquinolizin-5-ium;2-methylquinoxaline?

The IUPAC name of 2-methyl-1-benzofuran;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;3-methyl-2H-chromene;3-methylcinnoline;3-methyl-2H-indazole;2-methyl-1H-indene;3-methyl-1H-indene;1-methylindole;2-methyl-1H-indole;2-methylindolizine;2-methylisoindole;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;2-methylquinazoline;2-methylquinoline;3-methylquinolizin-5-ium;2-methylquinoxaline (CID 158658990) is 2-methyl-1-benzofuran;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;3-methyl-2H-chromene;3-methylcinnoline;3-methyl-2H-indazole;2-methyl-1H-indene;3-methyl-1H-indene;1-methylindole;2-methyl-1H-indole;2-methylindolizine;2-methylisoindole;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;2-methylquinazoline;2-methylquinoline;3-methylquinolizin-5-ium;2-methylquinoxaline.

What is the SMILES notation for 2-methyl-1-benzofuran;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;3-methyl-2H-chromene;3-methylcinnoline;3-methyl-2H-indazole;2-methyl-1H-indene;3-methyl-1H-indene;1-methylindole;2-methyl-1H-indole;2-methylindolizine;2-methylisoindole;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;2-methylquinazoline;2-methylquinoline;3-methylquinolizin-5-ium;2-methylquinoxaline?

The canonical SMILES for 2-methyl-1-benzofuran;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;3-methyl-2H-chromene;3-methylcinnoline;3-methyl-2H-indazole;2-methyl-1H-indene;3-methyl-1H-indene;1-methylindole;2-methyl-1H-indole;2-methylindolizine;2-methylisoindole;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;2-methylquinazoline;2-methylquinoline;3-methylquinolizin-5-ium;2-methylquinoxaline is CC1=CCc2ccccc21.CC1=Cc2ccccc2C1.CC1=Cc2ccccc2OC1.Cc1[nH]nc2ccccc12.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1cc2ccccc2nn1.Cc1cc2ccccc2o1.Cc1cc2ccccn2c1.Cc1ccc2cccc[n+]2c1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2n1.Cc1ccc2cccnc2n1.Cc1cccc2ccccc12.Cc1cnc2ccccc2n1.Cc1coc2ccccc12.Cc1csc2ccccc12.Cc1ncc2ccccc2n1.Cc1ncc2nccnc2n1.Cc1nncc2ccccc12.Cn1cc2ccccc2c1.Cn1ccc2ccccc21.

What is the InChIKey of 2-methyl-1-benzofuran;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;3-methyl-2H-chromene;3-methylcinnoline;3-methyl-2H-indazole;2-methyl-1H-indene;3-methyl-1H-indene;1-methylindole;2-methyl-1H-indole;2-methylindolizine;2-methylisoindole;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;2-methylquinazoline;2-methylquinoline;3-methylquinolizin-5-ium;2-methylquinoxaline?

The InChIKey is CLMBXCHKEFSEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H10.C10H10N.2C10H9N.C10H10O.2C10H10.5C9H8N2.4C9H9N.2C9H8O.C9H8S.C8H8N2.C7H6N4/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-9-5-6-10-4-2-3-7-11(10)8-9;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-9-4-2-3-5-10(9)7-8;1-8-6-7-9-4-2-3-5-10(8)9;1-7-4-5-8-3-2-6-10-9(8)11-7;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-9-5-3-2-4-8(9)6-10-11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-6-8-4-2-3-5-9(8)11-10-7;1-10-6-8-4-2-3-5-9(8)7-10;1-8-6-9-4-2-3-5-10(9)7-8;1-10-7-6-8-4-2-3-5-9(8)10;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-6-7-4-2-3-5-8(7)10-9-6;1-5-10-4-6-7(11-5)9-3-2-8-6/h3*2-8H,1H3;2*2-7H,1H3;2-6H,7H2,1H3;2*2-6H,7H2,1H3;5*2-6H,1H3;3*2-7H,1H3;2-6,10H,1H3;3*2-6H,1H3;2-5H,1H3,(H,9,10);2-4H,1H3/q;;+1;;;;;;;;;;;;;;;;;;;.

What are the key properties of 2-methyl-1-benzofuran;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;3-methyl-2H-chromene;3-methylcinnoline;3-methyl-2H-indazole;2-methyl-1H-indene;3-methyl-1H-indene;1-methylindole;2-methyl-1H-indole;2-methylindolizine;2-methylisoindole;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;2-methylquinazoline;2-methylquinoline;3-methylquinolizin-5-ium;2-methylquinoxaline?

2-methyl-1-benzofuran;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;3-methyl-2H-chromene;3-methylcinnoline;3-methyl-2H-indazole;2-methyl-1H-indene;3-methyl-1H-indene;1-methylindole;2-methyl-1H-indole;2-methylindolizine;2-methylisoindole;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;2-methylquinazoline;2-methylquinoline;3-methylquinolizin-5-ium;2-methylquinoxaline has a molecular weight of 3058.02 g/mol, XLogP of 50.95, 0 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-benzofuran;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;3-methyl-2H-chromene;3-methylcinnoline;3-methyl-2H-indazole;2-methyl-1H-indene;3-methyl-1H-indene;1-methylindole;2-methyl-1H-indole;2-methylindolizine;2-methylisoindole;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;2-methylquinazoline;2-methylquinoline;3-methylquinolizin-5-ium;2-methylquinoxaline is sourced from PubChem (CID 158658990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).