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

C22H22N4O3 — CID 126587573

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

6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(pyrimidin-5-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 126587573) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(pyrimidin-5-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(pyrimidin-5-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 126587573
• Molecular Formula: C22H22N4O3
• Molecular Weight: 390.44 g/mol
• Exact Mass: 390.17
• IUPAC Name: 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(pyrimidin-5-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
• SMILES: CCc1cc(-c2cc3c(c(OCc4cncnc4)c2)NC(=O)CC3)cn(C)c1=O
• InChI: InChI=1S/C22H22N4O3/c1-3-15-6-18(11-26(2)22(15)28)17-7-16-4-5-20(27)25-21(16)19(8-17)29-12-14-9-23-13-24-10-14/h6-11,13H,3-5,12H2,1-2H3,(H,25,27)
• InChIKey: JYUSOYPMRRMFTM-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 86.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.44
LogP ≤ 5	2.87
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-(pyrimidin-5-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(pyrimidin-5-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one (CID 126587573) is 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(pyrimidin-5-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one.

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

The canonical SMILES for 6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(pyrimidin-5-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one is CCc1cc(-c2cc3c(c(OCc4cncnc4)c2)NC(=O)CC3)cn(C)c1=O.

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

The InChIKey is JYUSOYPMRRMFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-15-6-18(11-26(2)22(15)28)17-7-16-4-5-20(27)25-21(16)19(8-17)29-12-14-9-23-13-24-10-14/h6-11,13H,3-5,12H2,1-2H3,(H,25,27).

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

6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(pyrimidin-5-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 390.44 g/mol, XLogP of 2.87, 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-(pyrimidin-5-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 126587573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).