1-ethyl-7-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-1,8-naphthyridin-4-one

C20H22N4O3 — CID 91771144

About 1-ethyl-7-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-1,8-naphthyridin-4-one

1-ethyl-7-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-1,8-naphthyridin-4-one (PubChem CID 91771144) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-ethyl-7-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 1-ethyl-7-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-1,8-naphthyridin-4-one
• PubChem CID: 91771144
• Molecular Formula: C20H22N4O3
• Molecular Weight: 366.42 g/mol
• Exact Mass: 366.17
• IUPAC Name: 1-ethyl-7-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-1,8-naphthyridin-4-one
• SMILES: CCn1cc(C(=O)N2CCCC2c2cc(C)no2)c(=O)c2ccc(C)nc21
• InChI: InChI=1S/C20H22N4O3/c1-4-23-11-15(18(25)14-8-7-12(2)21-19(14)23)20(26)24-9-5-6-16(24)17-10-13(3)22-27-17/h7-8,10-11,16H,4-6,9H2,1-3H3
• InChIKey: PJTIFLPBPRXXNF-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 81.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.42
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-1,8-naphthyridin-4-one?

The IUPAC name of 1-ethyl-7-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-1,8-naphthyridin-4-one (CID 91771144) is 1-ethyl-7-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-1,8-naphthyridin-4-one.

What is the SMILES notation for 1-ethyl-7-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-1,8-naphthyridin-4-one?

The canonical SMILES for 1-ethyl-7-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-1,8-naphthyridin-4-one is CCn1cc(C(=O)N2CCCC2c2cc(C)no2)c(=O)c2ccc(C)nc21.

What is the InChIKey of 1-ethyl-7-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-1,8-naphthyridin-4-one?

The InChIKey is PJTIFLPBPRXXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-23-11-15(18(25)14-8-7-12(2)21-19(14)23)20(26)24-9-5-6-16(24)17-10-13(3)22-27-17/h7-8,10-11,16H,4-6,9H2,1-3H3.

What are the key properties of 1-ethyl-7-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-1,8-naphthyridin-4-one?

1-ethyl-7-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-1,8-naphthyridin-4-one has a molecular weight of 366.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-7-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-1,8-naphthyridin-4-one is sourced from PubChem (CID 91771144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).