ethane;1-methylbenzimidazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;2-methylquinoline;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one

C112H163N15O4S — CID 159072025

About ethane;1-methylbenzimidazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;2-methylquinoline;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one

ethane;1-methylbenzimidazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;2-methylquinoline;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 159072025) has the molecular formula C112H163N15O4S and a molecular weight of 1815.70 g/mol. Its IUPAC name is ethane;1-methylbenzimidazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;2-methylquinoline;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: ethane;1-methylbenzimidazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;2-methylquinoline;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one
• PubChem CID: 159072025
• Molecular Formula: C112H163N15O4S
• Molecular Weight: 1815.70 g/mol
• Exact Mass: 1814.27
• IUPAC Name: ethane;1-methylbenzimidazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;2-methylquinoline;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCC1.Cc1cc2ccccc2cn1.Cc1ccc2c(c1)CCC(=O)N2.Cc1ccc2c(c1)CCCC2.Cc1ccc2ccccc2n1.Cc1ccc2ncccc2c1.Cc1ccoc1.Cc1cnc2ccccn12.Cn1cnc2[nH]ncc2c1=O.Cn1cnc2ccccc21.Cn1cnc2ccsc2c1=O
• InChI: InChI=1S/C11H14.C10H11NO.3C10H9N.2C8H8N2.C7H6N2OS.C6H6N4O.C5H11N.C5H6O.11C2H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-2-4-9-8(6-7)3-5-10(12)11-9;1-8-4-5-10-9(7-8)3-2-6-11-10;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;1-10-6-9-7-4-2-3-5-8(7)10;1-7-6-9-8-4-2-3-5-10(7)8;1-9-4-8-5-2-3-11-6(5)7(9)10;1-10-3-7-5-4(6(10)11)2-8-9-5;1-6-4-2-3-5-6;1-5-2-3-6-4-5;11*1-2/h6-8H,2-5H2,1H3;2,4,6H,3,5H2,1H3,(H,11,12);3*2-7H,1H3;2*2-6H,1H3;2-4H,1H3;2-3H,1H3,(H,8,9);2-5H2,1H3;2-4H,1H3;11*1-2H3
• InChIKey: JZTSMMGJRMRENW-UHFFFAOYSA-N
• XLogP: 29.84
• TPSA: 217.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1815.70
LogP ≤ 5	29.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylbenzimidazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;2-methylquinoline;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one?

The IUPAC name of ethane;1-methylbenzimidazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;2-methylquinoline;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one (CID 159072025) is ethane;1-methylbenzimidazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;2-methylquinoline;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for ethane;1-methylbenzimidazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;2-methylquinoline;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for ethane;1-methylbenzimidazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;2-methylquinoline;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCC1.Cc1cc2ccccc2cn1.Cc1ccc2c(c1)CCC(=O)N2.Cc1ccc2c(c1)CCCC2.Cc1ccc2ccccc2n1.Cc1ccc2ncccc2c1.Cc1ccoc1.Cc1cnc2ccccn12.Cn1cnc2[nH]ncc2c1=O.Cn1cnc2ccccc21.Cn1cnc2ccsc2c1=O.

What is the InChIKey of ethane;1-methylbenzimidazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;2-methylquinoline;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one?

The InChIKey is JZTSMMGJRMRENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C10H11NO.3C10H9N.2C8H8N2.C7H6N2OS.C6H6N4O.C5H11N.C5H6O.11C2H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-2-4-9-8(6-7)3-5-10(12)11-9;1-8-4-5-10-9(7-8)3-2-6-11-10;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;1-10-6-9-7-4-2-3-5-8(7)10;1-7-6-9-8-4-2-3-5-10(7)8;1-9-4-8-5-2-3-11-6(5)7(9)10;1-10-3-7-5-4(6(10)11)2-8-9-5;1-6-4-2-3-5-6;1-5-2-3-6-4-5;11*1-2/h6-8H,2-5H2,1H3;2,4,6H,3,5H2,1H3,(H,11,12);3*2-7H,1H3;2*2-6H,1H3;2-4H,1H3;2-3H,1H3,(H,8,9);2-5H2,1H3;2-4H,1H3;11*1-2H3.

What are the key properties of ethane;1-methylbenzimidazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;2-methylquinoline;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one?

ethane;1-methylbenzimidazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;2-methylquinoline;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 1815.70 g/mol, XLogP of 29.84, 0 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methylbenzimidazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;2-methylquinoline;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159072025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).