3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one

C16H15NO3 — CID 103343585

IUPAC3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one
SMILESCC(=O)C1(Cc2cccc3cccnc23)CCOC1=O
InChIInChI=1S/C16H15NO3/c1-11(18)16(7-9-20-15(16)19)10-13-5-2-4-12-6-3-8-17-14(12)13/h2-6,8H,7,9-10H2,1H3
InChIKeyOIFBCNRSHWMNAL-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.30
Rot. Bonds3

About 3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one

3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one (PubChem CID 103343585) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one.

Molecular Properties

Compound Name3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one
PubChem CID103343585
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one
SMILESCC(=O)C1(Cc2cccc3cccnc23)CCOC1=O
InChIInChI=1S/C16H15NO3/c1-11(18)16(7-9-20-15(16)19)10-13-5-2-4-12-6-3-8-17-14(12)13/h2-6,8H,7,9-10H2,1H3
InChIKeyOIFBCNRSHWMNAL-UHFFFAOYSA-N
XLogP2.30
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one?
The IUPAC name of 3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one (CID 103343585) is 3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one.
What is the SMILES notation for 3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one?
The canonical SMILES for 3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one is CC(=O)C1(Cc2cccc3cccnc23)CCOC1=O.
What is the InChIKey of 3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one?
The InChIKey is OIFBCNRSHWMNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11(18)16(7-9-20-15(16)19)10-13-5-2-4-12-6-3-8-17-14(12)13/h2-6,8H,7,9-10H2,1H3.
What are the key properties of 3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one?
3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one is sourced from PubChem (CID 103343585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).