1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate

C18H17NO4S — CID 134229057

IUPAC1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate
SMILESCC(OS(C)(=O)=O)c1cc2ccccn2c(=O)c1-c1ccccc1
InChIInChI=1S/C18H17NO4S/c1-13(23-24(2,21)22)16-12-15-10-6-7-11-19(15)18(20)17(16)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKeyUXMJGMXISAEOHU-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.00
Rot. Bonds4

About 1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate

1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate (PubChem CID 134229057) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate.

Molecular Properties

Compound Name1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate
PubChem CID134229057
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate
SMILESCC(OS(C)(=O)=O)c1cc2ccccn2c(=O)c1-c1ccccc1
InChIInChI=1S/C18H17NO4S/c1-13(23-24(2,21)22)16-12-15-10-6-7-11-19(15)18(20)17(16)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKeyUXMJGMXISAEOHU-UHFFFAOYSA-N
XLogP3.00
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate 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

[(1S)-1-phenylethyl] methanesulfonate
CID 59868703
3-bromo-2-propan-2-ylindolizine
CID 82274930
[(1S)-1-(6-methyl-4-oxo-2-phenylchromen-8-yl)ethyl] methanesulfonate
CID 166111472
(S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide
CID 140786719
1-(2,5-dimethylphenyl)ethyl methanesulfonate
CID 102620749
7-phenylbenzo[a]quinolizin-6-one
CID 132564756
1-(2-methoxy-3-pyridinyl)ethyl methanesulfonate
CID 131853710
(4-oxo-1,3-diphenylquinolizin-2-yl) acetate
CID 110273347
naphtho[2,3-b]indolizine-6,11-dione
CID 11064724
1-(2,5-dimethoxyphenyl)ethyl methanesulfonate
CID 102620734
[(1S)-1-pyridin-2-ylethyl] methanesulfonate
CID 11790238
1-(3-pyridin-4-ylindolizin-2-yl)ethanol
CID 118573391

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate?
The IUPAC name of 1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate (CID 134229057) is 1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate.
What is the SMILES notation for 1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate?
The canonical SMILES for 1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate is CC(OS(C)(=O)=O)c1cc2ccccn2c(=O)c1-c1ccccc1.
What is the InChIKey of 1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate?
The InChIKey is UXMJGMXISAEOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-13(23-24(2,21)22)16-12-15-10-6-7-11-19(15)18(20)17(16)14-8-4-3-5-9-14/h3-13H,1-2H3.
What are the key properties of 1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate?
1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate has a molecular weight of 343.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate is sourced from PubChem (CID 134229057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).