6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C30H35N3O2 — CID 45187431

About 6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45187431) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: 6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 45187431
• Molecular Formula: C30H35N3O2
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.27
• IUPAC Name: 6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: O=C(NCC1(c2ccccc2)CCCC1)C1CC12CCN(Cc1cc3ccccc3[nH]c1=O)CC2
• InChI: InChI=1S/C30H35N3O2/c34-27-23(18-22-8-4-5-11-26(22)32-27)20-33-16-14-29(15-17-33)19-25(29)28(35)31-21-30(12-6-7-13-30)24-9-2-1-3-10-24/h1-5,8-11,18,25H,6-7,12-17,19-21H2,(H,31,35)(H,32,34)
• InChIKey: LREWQXZWMDBFGX-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of 6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 45187431) is 6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for 6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for 6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCC1(c2ccccc2)CCCC1)C1CC12CCN(Cc1cc3ccccc3[nH]c1=O)CC2.

What is the InChIKey of 6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is LREWQXZWMDBFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c34-27-23(18-22-8-4-5-11-26(22)32-27)20-33-16-14-29(15-17-33)19-25(29)28(35)31-21-30(12-6-7-13-30)24-9-2-1-3-10-24/h1-5,8-11,18,25H,6-7,12-17,19-21H2,(H,31,35)(H,32,34).

What are the key properties of 6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 469.63 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45187431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).