3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one

C21H17NO3 — CID 166444977

IUPAC3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one
SMILESCC(=O)C1(c2nc3ccccc3cc2-c2ccccc2)CCOC1=O
InChIInChI=1S/C21H17NO3/c1-14(23)21(11-12-25-20(21)24)19-17(15-7-3-2-4-8-15)13-16-9-5-6-10-18(16)22-19/h2-10,13H,11-12H2,1H3
InChIKeyHLDPXKFFFNYTTL-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.68
Rot. Bonds3

About 3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one

3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one (PubChem CID 166444977) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one.

Molecular Properties

Compound Name3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one
PubChem CID166444977
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one
SMILESCC(=O)C1(c2nc3ccccc3cc2-c2ccccc2)CCOC1=O
InChIInChI=1S/C21H17NO3/c1-14(23)21(11-12-25-20(21)24)19-17(15-7-3-2-4-8-15)13-16-9-5-6-10-18(16)22-19/h2-10,13H,11-12H2,1H3
InChIKeyHLDPXKFFFNYTTL-UHFFFAOYSA-N
XLogP3.68
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.68
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-(3-phenylquinolin-2-yl)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

Related Compounds

(2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide
CID 34418328
4-hydroxy-5,5-bis(3-phenylquinolin-2-yl)pent-3-en-2-one
CID 166135028
4-(3-phenylquinolin-2-yl)butanoic acid
CID 70381801
4-(3-phenylquinolin-2-yl)butanamide
CID 70439423
N,N-diethyl-3-phenylquinoline-2-carboxamide
CID 24845781
3-phenylquinolin-2-amine;hydrochloride
CID 43865994
2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione
CID 130399990
3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one
CID 103343585
N-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide
CID 138976558
3-acetyl-3-[(2-fluorophenyl)methyl]oxolan-2-one
CID 103343579
3-phenyl-2-thiophen-3-ylquinoline
CID 164677257
3-[12-(2-carboxypropyl)-3-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl]-2-methylpropanoic acid
CID 167025775

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one?
The IUPAC name of 3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one (CID 166444977) is 3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one.
What is the SMILES notation for 3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one?
The canonical SMILES for 3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one is CC(=O)C1(c2nc3ccccc3cc2-c2ccccc2)CCOC1=O.
What is the InChIKey of 3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one?
The InChIKey is HLDPXKFFFNYTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-14(23)21(11-12-25-20(21)24)19-17(15-7-3-2-4-8-15)13-16-9-5-6-10-18(16)22-19/h2-10,13H,11-12H2,1H3.
What are the key properties of 3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one?
3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one has a molecular weight of 331.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one is sourced from PubChem (CID 166444977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).