6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide

C28H32N4O5 — CID 166831308

About 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide

6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831308) has the molecular formula C28H32N4O5 and a molecular weight of 504.59 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 166831308
• Molecular Formula: C28H32N4O5
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.24
• IUPAC Name: 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: COc1ccc(-c2cnc3c(c2)cc(C(=O)NC2CC4(COC4)C2)c(=O)n3CCN2CCOCC2)cc1
• InChI: InChI=1S/C28H32N4O5/c1-35-23-4-2-19(3-5-23)21-12-20-13-24(26(33)30-22-14-28(15-22)17-37-18-28)27(34)32(25(20)29-16-21)7-6-31-8-10-36-11-9-31/h2-5,12-13,16,22H,6-11,14-15,17-18H2,1H3,(H,30,33)
• InChIKey: NOGIEYWQAWBQSR-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 94.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831308) is 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide is COc1ccc(-c2cnc3c(c2)cc(C(=O)NC2CC4(COC4)C2)c(=O)n3CCN2CCOCC2)cc1.

What is the InChIKey of 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is NOGIEYWQAWBQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5/c1-35-23-4-2-19(3-5-23)21-12-20-13-24(26(33)30-22-14-28(15-22)17-37-18-28)27(34)32(25(20)29-16-21)7-6-31-8-10-36-11-9-31/h2-5,12-13,16,22H,6-11,14-15,17-18H2,1H3,(H,30,33).

What are the key properties of 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?

6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).