6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one

C21H21N3O4 — CID 126587528

About 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one

6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 126587528) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 126587528
• Molecular Formula: C21H21N3O4
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.15
• IUPAC Name: 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
• SMILES: CCc1cc(-c2cc3c(c(OCc4ncco4)c2)NC(=O)CC3)cn(C)c1=O
• InChI: InChI=1S/C21H21N3O4/c1-3-13-8-16(11-24(2)21(13)26)15-9-14-4-5-18(25)23-20(14)17(10-15)28-12-19-22-6-7-27-19/h6-11H,3-5,12H2,1-2H3,(H,23,25)
• InChIKey: FGPKKQSPVWHZMM-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 86.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one (CID 126587528) is 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one is CCc1cc(-c2cc3c(c(OCc4ncco4)c2)NC(=O)CC3)cn(C)c1=O.

What is the InChIKey of 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is FGPKKQSPVWHZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-3-13-8-16(11-24(2)21(13)26)15-9-14-4-5-18(25)23-20(14)17(10-15)28-12-19-22-6-7-27-19/h6-11H,3-5,12H2,1-2H3,(H,23,25).

What are the key properties of 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?

6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 379.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 126587528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).