6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one

C25H27N3O3 — CID 149335829

About 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one

6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one (PubChem CID 149335829) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one.

Molecular Properties

• Compound Name: 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one
• PubChem CID: 149335829
• Molecular Formula: C25H27N3O3
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.21
• IUPAC Name: 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one
• SMILES: CCn1cc(C(=O)N2CCOCC2)c(=O)c2nc(CC3Cc4ccccc4C3)ccc21
• InChI: InChI=1S/C25H27N3O3/c1-2-27-16-21(25(30)28-9-11-31-12-10-28)24(29)23-22(27)8-7-20(26-23)15-17-13-18-5-3-4-6-19(18)14-17/h3-8,16-17H,2,9-15H2,1H3
• InChIKey: YDFHHXNQPZMLCA-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 64.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one?

The IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one (CID 149335829) is 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one.

What is the SMILES notation for 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one?

The canonical SMILES for 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one is CCn1cc(C(=O)N2CCOCC2)c(=O)c2nc(CC3Cc4ccccc4C3)ccc21.

What is the InChIKey of 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one?

The InChIKey is YDFHHXNQPZMLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-2-27-16-21(25(30)28-9-11-31-12-10-28)24(29)23-22(27)8-7-20(26-23)15-17-13-18-5-3-4-6-19(18)14-17/h3-8,16-17H,2,9-15H2,1H3.

What are the key properties of 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one?

6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one has a molecular weight of 417.51 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one is sourced from PubChem (CID 149335829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).