ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one

C125H166N8O4S — CID 158508043

About ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one

ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one (PubChem CID 158508043) has the molecular formula C125H166N8O4S and a molecular weight of 1876.82 g/mol. Its IUPAC name is ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one
• PubChem CID: 158508043
• Molecular Formula: C125H166N8O4S
• Molecular Weight: 1876.82 g/mol
• Exact Mass: 1875.28
• IUPAC Name: ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=Cc2ccccc2C1.CC1CCc2ccccc21.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]c1=O.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)OCO2.Cc1ccc2cccnc2c1.Cc1ccc2cnccc2n1.Cc1ccc2ncsc2c1.Cc1cccc2cccnc12.Cc1cnc2ccccc2c1
• InChI: InChI=1S/C10H9NO.3C10H9N.C10H10.C10H12.C9H8N2.C9H9N.C9H10O.C8H7NS.C8H8O2.11C2H6/c1-7-6-8-4-2-3-5-9(8)11-10(7)12;1-8-4-2-5-9-6-3-7-11-10(8)9;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;1-8-6-9-4-2-3-5-10(9)7-8;1-8-6-7-9-4-2-3-5-10(8)9;1-7-2-3-8-6-10-5-4-9(8)11-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-2-3-9-8(6-7)4-5-10-9;2*1-6-2-3-7-8(4-6)10-5-9-7;11*1-2/h2-6H,1H3,(H,11,12);3*2-7H,1H3;2-6H,7H2,1H3;2-5,8H,6-7H2,1H3;2-6H,1H3;2-6,10H,1H3;2-3,6H,4-5H2,1H3;2-5H,1H3;2-4H,5H2,1H3;11*1-2H3
• InChIKey: HKRVVGIPIYNRGT-UHFFFAOYSA-N
• XLogP: 36.81
• TPSA: 153.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1876.82
LogP ≤ 5	36.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one?

The IUPAC name of ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one (CID 158508043) is ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one.

What is the SMILES notation for ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one?

The canonical SMILES for ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=Cc2ccccc2C1.CC1CCc2ccccc21.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]c1=O.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)OCO2.Cc1ccc2cccnc2c1.Cc1ccc2cnccc2n1.Cc1ccc2ncsc2c1.Cc1cccc2cccnc12.Cc1cnc2ccccc2c1.

What is the InChIKey of ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one?

The InChIKey is HKRVVGIPIYNRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.3C10H9N.C10H10.C10H12.C9H8N2.C9H9N.C9H10O.C8H7NS.C8H8O2.11C2H6/c1-7-6-8-4-2-3-5-9(8)11-10(7)12;1-8-4-2-5-9-6-3-7-11-10(8)9;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;1-8-6-9-4-2-3-5-10(9)7-8;1-8-6-7-9-4-2-3-5-10(8)9;1-7-2-3-8-6-10-5-4-9(8)11-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-2-3-9-8(6-7)4-5-10-9;2*1-6-2-3-7-8(4-6)10-5-9-7;11*1-2/h2-6H,1H3,(H,11,12);3*2-7H,1H3;2-6H,7H2,1H3;2-5,8H,6-7H2,1H3;2-6H,1H3;2-6,10H,1H3;2-3,6H,4-5H2,1H3;2-5H,1H3;2-4H,5H2,1H3;11*1-2H3.

What are the key properties of ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one?

ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one has a molecular weight of 1876.82 g/mol, XLogP of 36.81, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 158508043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).