6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C16H18N2O3 — CID 103714923

About 6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one

6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 103714923) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 103714923
• Molecular Formula: C16H18N2O3
• Molecular Weight: 286.33 g/mol
• Exact Mass: 286.13
• IUPAC Name: 6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one
• SMILES: O=C1CCc2cc(C(=O)N3CC4CCC(C3)O4)ccc2N1
• InChI: InChI=1S/C16H18N2O3/c19-15-6-2-10-7-11(1-5-14(10)17-15)16(20)18-8-12-3-4-13(9-18)21-12/h1,5,7,12-13H,2-4,6,8-9H2,(H,17,19)
• InChIKey: MQAXIFUYZRZOMV-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.33
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 103714923) is 6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)N3CC4CCC(C3)O4)ccc2N1.

What is the InChIKey of 6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is MQAXIFUYZRZOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15-6-2-10-7-11(1-5-14(10)17-15)16(20)18-8-12-3-4-13(9-18)21-12/h1,5,7,12-13H,2-4,6,8-9H2,(H,17,19).

What are the key properties of 6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one?

6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 286.33 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 103714923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).