ethane;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one

C83H120N12O3S — CID 157067044

About ethane;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one

ethane;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 157067044) has the molecular formula C83H120N12O3S and a molecular weight of 1366.02 g/mol. Its IUPAC name is ethane;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: ethane;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one
• PubChem CID: 157067044
• Molecular Formula: C83H120N12O3S
• Molecular Weight: 1366.02 g/mol
• Exact Mass: 1364.93
• IUPAC Name: ethane;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-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.CN1CCCC1.Cc1cc2ccccc2cn1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(c1)CCCC2.Cc1ccc2ccccc2n1.Cn1cnc2[nH]ncc2c1=O.Cn1cnc2ccccc2c1=O.Cn1cnc2ccsc2c1=O
• InChI: InChI=1S/C11H14.2C10H9N.C9H8N2O.C9H9N.C7H6N2OS.C6H6N4O.C5H11N.8C2H6/c1-9-6-7-10-4-2-3-5-11(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;1-11-6-10-8-5-3-2-4-7(8)9(11)12;1-7-2-3-9-8(6-7)4-5-10-9;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;8*1-2/h6-8H,2-5H2,1H3;2*2-7H,1H3;2-6H,1H3;2-6,10H,1H3;2-4H,1H3;2-3H,1H3,(H,8,9);2-5H2,1H3;8*1-2H3
• InChIKey: ABZODRQNFZTWGM-UHFFFAOYSA-N
• XLogP: 20.94
• TPSA: 178.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1366.02
LogP ≤ 5	20.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one?

The IUPAC name of ethane;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one (CID 157067044) is ethane;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for ethane;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for ethane;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-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.CN1CCCC1.Cc1cc2ccccc2cn1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(c1)CCCC2.Cc1ccc2ccccc2n1.Cn1cnc2[nH]ncc2c1=O.Cn1cnc2ccccc2c1=O.Cn1cnc2ccsc2c1=O.

What is the InChIKey of ethane;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one?

The InChIKey is ABZODRQNFZTWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.2C10H9N.C9H8N2O.C9H9N.C7H6N2OS.C6H6N4O.C5H11N.8C2H6/c1-9-6-7-10-4-2-3-5-11(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;1-11-6-10-8-5-3-2-4-7(8)9(11)12;1-7-2-3-9-8(6-7)4-5-10-9;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;8*1-2/h6-8H,2-5H2,1H3;2*2-7H,1H3;2-6H,1H3;2-6,10H,1H3;2-4H,1H3;2-3H,1H3,(H,8,9);2-5H2,1H3;8*1-2H3.

What are the key properties of ethane;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one?

ethane;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 1366.02 g/mol, XLogP of 20.94, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;3-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 157067044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).