6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide

C28H28ClN3O3 — CID 45208093

About 6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide

6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45208093) has the molecular formula C28H28ClN3O3 and a molecular weight of 490.00 g/mol. Its IUPAC name is 6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: 6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 45208093
• Molecular Formula: C28H28ClN3O3
• Molecular Weight: 490.00 g/mol
• Exact Mass: 489.18
• IUPAC Name: 6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: O=C(NCCc1c[nH]c2ccccc12)C1CC12CCN(Cc1coc3ccc(Cl)cc3c1=O)CC2
• InChI: InChI=1S/C28H28ClN3O3/c29-20-5-6-25-22(13-20)26(33)19(17-35-25)16-32-11-8-28(9-12-32)14-23(28)27(34)30-10-7-18-15-31-24-4-2-1-3-21(18)24/h1-6,13,15,17,23,31H,7-12,14,16H2,(H,30,34)
• InChIKey: VMPSILNPOBKLEO-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 78.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.00
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of 6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 45208093) is 6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for 6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for 6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CC12CCN(Cc1coc3ccc(Cl)cc3c1=O)CC2.

What is the InChIKey of 6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is VMPSILNPOBKLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O3/c29-20-5-6-25-22(13-20)26(33)19(17-35-25)16-32-11-8-28(9-12-32)14-23(28)27(34)30-10-7-18-15-31-24-4-2-1-3-21(18)24/h1-6,13,15,17,23,31H,7-12,14,16H2,(H,30,34).

What are the key properties of 6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?

6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 490.00 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45208093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).