7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one

C₂₂H₂₆N₂O₃ — CID 155926794

About 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one

7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one (PubChem CID 155926794) has the molecular formula C₂₂H₂₆N₂O₃ and a molecular weight of 366.46 g/mol. Its IUPAC name is 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one
• PubChem CID: 155926794
• Molecular Formula: C₂₂H₂₆N₂O₃
• Molecular Weight: 366.46 g/mol
• Exact Mass: 366.19
• IUPAC Name: 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one
• SMILES: Cc1cc(-c2ccc3c(c2)N(C[C@H]2CCCCO2)C(=O)CC3)cn(C)c1=O
• InChI: InChI=1S/C22H26N2O3/c1-15-11-18(13-23(2)22(15)26)17-7-6-16-8-9-21(25)24(20(16)12-17)14-19-5-3-4-10-27-19/h6-7,11-13,19H,3-5,8-10,14H2,1-2H3/t19-/m1/s1
• InChIKey: PAIPFCICCDDSMM-LJQANCHMSA-N
• XLogP: 3.21
• TPSA: 51.54 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.46
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one?

The IUPAC name of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one (CID 155926794) is 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one.

What is the SMILES notation for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one?

The canonical SMILES for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one is Cc1cc(-c2ccc3c(c2)N(C[C@H]2CCCCO2)C(=O)CC3)cn(C)c1=O.

What is the InChIKey of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one?

The InChIKey is PAIPFCICCDDSMM-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-11-18(13-23(2)22(15)26)17-7-6-16-8-9-21(25)24(20(16)12-17)14-19-5-3-4-10-27-19/h6-7,11-13,19H,3-5,8-10,14H2,1-2H3/t19-/m1/s1.

What are the key properties of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one?

7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 366.46 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 155926794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155926794 — identifiers, structure, computed properties (public domain)

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