1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one

C21H20FN3O2 — CID 43995845

About 1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one

1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one (PubChem CID 43995845) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one
• PubChem CID: 43995845
• Molecular Formula: C21H20FN3O2
• Molecular Weight: 365.41 g/mol
• Exact Mass: 365.15
• IUPAC Name: 1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one
• SMILES: CCn1c(=O)c(C(=O)N2c3ccc(F)cc3CCC2C)cc2cccnc21
• InChI: InChI=1S/C21H20FN3O2/c1-3-24-19-15(5-4-10-23-19)12-17(20(24)26)21(27)25-13(2)6-7-14-11-16(22)8-9-18(14)25/h4-5,8-13H,3,6-7H2,1-2H3
• InChIKey: MBJFKPGFXPSUBJ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 55.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.41
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one?

The IUPAC name of 1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one (CID 43995845) is 1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one.

What is the SMILES notation for 1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one?

The canonical SMILES for 1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one is CCn1c(=O)c(C(=O)N2c3ccc(F)cc3CCC2C)cc2cccnc21.

What is the InChIKey of 1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one?

The InChIKey is MBJFKPGFXPSUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-3-24-19-15(5-4-10-23-19)12-17(20(24)26)21(27)25-13(2)6-7-14-11-16(22)8-9-18(14)25/h4-5,8-13H,3,6-7H2,1-2H3.

What are the key properties of 1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one?

1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one has a molecular weight of 365.41 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 43995845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).