4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline

C88H114N8O4 — CID 160882298

About 4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline

4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline (PubChem CID 160882298) has the molecular formula C88H114N8O4 and a molecular weight of 1347.93 g/mol. Its IUPAC name is 4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline.

Molecular Properties

• Compound Name: 4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline
• PubChem CID: 160882298
• Molecular Formula: C88H114N8O4
• Molecular Weight: 1347.93 g/mol
• Exact Mass: 1346.90
• IUPAC Name: 4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline
• SMILES: C.C.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nccnc2c1.CCc1ccnc(C(C)C)c1
• InChI: InChI=1S/C12H15N.C11H12N2.2C11H13N.C11H14O2.C10H12N2.C10H15N.C10H12O2.2CH4/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-4-9-5-6-11-10(7-9)8(2)3;1-7(2)8-3-4-9-10(5-8)12-6-11-9;;/h4-9H,1-3H3;3-8H,1-2H3;2*3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3,(H,11,12);5-8H,4H2,1-3H3;3-5,7H,6H2,1-2H3;2*1H4
• InChIKey: SNEQMZGBZNFGQW-UHFFFAOYSA-N
• XLogP: 24.48
• TPSA: 140.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1347.93
LogP ≤ 5	24.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline?

The IUPAC name of 4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline (CID 160882298) is 4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline.

What is the SMILES notation for 4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline?

The canonical SMILES for 4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline is C.C.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nccnc2c1.CCc1ccnc(C(C)C)c1.

What is the InChIKey of 4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline?

The InChIKey is SNEQMZGBZNFGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C11H12N2.2C11H13N.C11H14O2.C10H12N2.C10H15N.C10H12O2.2CH4/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-4-9-5-6-11-10(7-9)8(2)3;1-7(2)8-3-4-9-10(5-8)12-6-11-9;;/h4-9H,1-3H3;3-8H,1-2H3;2*3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3,(H,11,12);5-8H,4H2,1-3H3;3-5,7H,6H2,1-2H3;2*1H4.

What are the key properties of 4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline?

4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline has a molecular weight of 1347.93 g/mol, XLogP of 24.48, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline is sourced from PubChem (CID 160882298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).