1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C17H28N2O2 — CID 82521486

About 1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521486) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
• PubChem CID: 82521486
• Molecular Formula: C17H28N2O2
• Molecular Weight: 292.42 g/mol
• Exact Mass: 292.22
• IUPAC Name: 1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
• SMILES: CCC(C)n1c2c(cc(C(C)(C)O)c1=O)CN(CC)CC2
• InChI: InChI=1S/C17H28N2O2/c1-6-12(3)19-15-8-9-18(7-2)11-13(15)10-14(16(19)20)17(4,5)21/h10,12,21H,6-9,11H2,1-5H3
• InChIKey: GAHZWIZIYQVFJD-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 45.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.42
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?

The IUPAC name of 1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521486) is 1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

What is the SMILES notation for 1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?

The canonical SMILES for 1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCC(C)n1c2c(cc(C(C)(C)O)c1=O)CN(CC)CC2.

What is the InChIKey of 1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?

The InChIKey is GAHZWIZIYQVFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-12(3)19-15-8-9-18(7-2)11-13(15)10-14(16(19)20)17(4,5)21/h10,12,21H,6-9,11H2,1-5H3.

What are the key properties of 1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?

1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 292.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).