[5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine

C33H38N4O5S — CID 144895313

About [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine

[5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine (PubChem CID 144895313) has the molecular formula C33H38N4O5S and a molecular weight of 602.76 g/mol. Its IUPAC name is [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine.

Molecular Properties

• Compound Name: [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine
• PubChem CID: 144895313
• Molecular Formula: C33H38N4O5S
• Molecular Weight: 602.76 g/mol
• Exact Mass: 602.26
• IUPAC Name: [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine
• SMILES: CO.COc1cc2[nH]c(C(=O)N3CCc4c3cc(O)c3ccccc43)cc2cc1OCCN(C)C.CSc1ccccn1
• InChI: InChI=1S/C26H27N3O4.C6H7NS.CH4O/c1-28(2)10-11-33-25-13-16-12-21(27-20(16)14-24(25)32-3)26(31)29-9-8-18-17-6-4-5-7-19(17)23(30)15-22(18)29;1-8-6-4-2-3-5-7-6;1-2/h4-7,12-15,27,30H,8-11H2,1-3H3;2-5H,1H3;2H,1H3
• InChIKey: HHZAEVQQUZKXIK-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 111.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.76
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine?

The IUPAC name of [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine (CID 144895313) is [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine.

What is the SMILES notation for [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine?

The canonical SMILES for [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine is CO.COc1cc2[nH]c(C(=O)N3CCc4c3cc(O)c3ccccc43)cc2cc1OCCN(C)C.CSc1ccccn1.

What is the InChIKey of [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine?

The InChIKey is HHZAEVQQUZKXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4.C6H7NS.CH4O/c1-28(2)10-11-33-25-13-16-12-21(27-20(16)14-24(25)32-3)26(31)29-9-8-18-17-6-4-5-7-19(17)23(30)15-22(18)29;1-8-6-4-2-3-5-7-6;1-2/h4-7,12-15,27,30H,8-11H2,1-3H3;2-5H,1H3;2H,1H3.

What are the key properties of [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine?

[5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine has a molecular weight of 602.76 g/mol, XLogP of 5.59, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine is sourced from PubChem (CID 144895313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).