5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one

C₂₂H₂₄N₂O₂ — CID 110771046

About 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one

5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one (PubChem CID 110771046) has the molecular formula C₂₂H₂₄N₂O₂ and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one.

Molecular Properties

• Compound Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one
• PubChem CID: 110771046
• Molecular Formula: C₂₂H₂₄N₂O₂
• Molecular Weight: 348.45 g/mol
• Exact Mass: 348.18
• IUPAC Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one
• SMILES: CN1C(=O)C(C)(C)c2cc(CC(=O)N3CCCc4ccccc43)ccc21
• InChI: InChI=1S/C22H24N2O2/c1-22(2)17-13-15(10-11-19(17)23(3)21(22)26)14-20(25)24-12-6-8-16-7-4-5-9-18(16)24/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3
• InChIKey: HELTYBOVIZZGOP-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 40.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.45
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one?

The IUPAC name of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one (CID 110771046) is 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one.

What is the SMILES notation for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one?

The canonical SMILES for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one is CN1C(=O)C(C)(C)c2cc(CC(=O)N3CCCc4ccccc43)ccc21.

What is the InChIKey of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one?

The InChIKey is HELTYBOVIZZGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-22(2)17-13-15(10-11-19(17)23(3)21(22)26)14-20(25)24-12-6-8-16-7-4-5-9-18(16)24/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3.

What are the key properties of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one?

5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 110771046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 110771046 — identifiers, structure, computed properties (public domain)

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