7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-ethyl-5,6-dihydro-1,7-naphthyridin-8-one

C24H28N4O2 — CID 146343570

About 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-ethyl-5,6-dihydro-1,7-naphthyridin-8-one

7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-ethyl-5,6-dihydro-1,7-naphthyridin-8-one (PubChem CID 146343570) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-ethyl-5,6-dihydro-1,7-naphthyridin-8-one.

Molecular Properties

• Compound Name: 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-ethyl-5,6-dihydro-1,7-naphthyridin-8-one
• PubChem CID: 146343570
• Molecular Formula: C24H28N4O2
• Molecular Weight: 404.51 g/mol
• Exact Mass: 404.22
• IUPAC Name: 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-ethyl-5,6-dihydro-1,7-naphthyridin-8-one
• SMILES: CCc1ccc2c(n1)C(=O)N(CCN1CCC(c3noc4ccccc34)CC1)CC2
• InChI: InChI=1S/C24H28N4O2/c1-2-19-8-7-17-11-14-28(24(29)23(17)25-19)16-15-27-12-9-18(10-13-27)22-20-5-3-4-6-21(20)30-26-22/h3-8,18H,2,9-16H2,1H3
• InChIKey: BFRFRAXXCWCEGC-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 62.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.51
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-ethyl-5,6-dihydro-1,7-naphthyridin-8-one?

The IUPAC name of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-ethyl-5,6-dihydro-1,7-naphthyridin-8-one (CID 146343570) is 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-ethyl-5,6-dihydro-1,7-naphthyridin-8-one.

What is the SMILES notation for 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-ethyl-5,6-dihydro-1,7-naphthyridin-8-one?

The canonical SMILES for 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-ethyl-5,6-dihydro-1,7-naphthyridin-8-one is CCc1ccc2c(n1)C(=O)N(CCN1CCC(c3noc4ccccc34)CC1)CC2.

What is the InChIKey of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-ethyl-5,6-dihydro-1,7-naphthyridin-8-one?

The InChIKey is BFRFRAXXCWCEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-2-19-8-7-17-11-14-28(24(29)23(17)25-19)16-15-27-12-9-18(10-13-27)22-20-5-3-4-6-21(20)30-26-22/h3-8,18H,2,9-16H2,1H3.

What are the key properties of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-ethyl-5,6-dihydro-1,7-naphthyridin-8-one?

7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-ethyl-5,6-dihydro-1,7-naphthyridin-8-one has a molecular weight of 404.51 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-ethyl-5,6-dihydro-1,7-naphthyridin-8-one is sourced from PubChem (CID 146343570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).