methyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate

C13H11FINO3 — CID 58125454

IUPACmethyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(C)nc2cccc(F)c2c1I
InChIInChI=1S/C13H11FINO3/c1-6-9(12(17)13(18)19-2)11(15)10-7(14)4-3-5-8(10)16-6/h3-5,12,17H,1-2H3
InChIKeyJVPSOPDUGFYLPE-UHFFFAOYSA-N
MW375.14 g/mol
LogP2.49
Rot. Bonds2

About methyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate

methyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate (PubChem CID 58125454) has the molecular formula C13H11FINO3 and a molecular weight of 375.14 g/mol. Its IUPAC name is methyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate
PubChem CID58125454
Molecular FormulaC13H11FINO3
Molecular Weight375.14 g/mol
Exact Mass374.98
IUPAC Namemethyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(C)nc2cccc(F)c2c1I
InChIInChI=1S/C13H11FINO3/c1-6-9(12(17)13(18)19-2)11(15)10-7(14)4-3-5-8(10)16-6/h3-5,12,17H,1-2H3
InChIKeyJVPSOPDUGFYLPE-UHFFFAOYSA-N
XLogP2.49
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.14
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate 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 methyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate (CID 58125454) is methyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate is COC(=O)C(O)c1c(C)nc2cccc(F)c2c1I.
What is the InChIKey of methyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate?
The InChIKey is JVPSOPDUGFYLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FINO3/c1-6-9(12(17)13(18)19-2)11(15)10-7(14)4-3-5-8(10)16-6/h3-5,12,17H,1-2H3.
What are the key properties of methyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate?
methyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate has a molecular weight of 375.14 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate is sourced from PubChem (CID 58125454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).