methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate

C12H10FNO4 — CID 131850530

IUPACmethyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2c(F)c(OC)ccc2[nH]1
InChIInChI=1S/C12H10FNO4/c1-17-9-4-3-6-10(11(9)13)8(15)5-7(14-6)12(16)18-2/h3-5H,1-2H3,(H,14,15)
InChIKeyPZOXYFUOWCCQEG-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.46
Rot. Bonds2

About methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate

methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate (PubChem CID 131850530) has the molecular formula C12H10FNO4 and a molecular weight of 251.21 g/mol. Its IUPAC name is methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate
PubChem CID131850530
Molecular FormulaC12H10FNO4
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Namemethyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2c(F)c(OC)ccc2[nH]1
InChIInChI=1S/C12H10FNO4/c1-17-9-4-3-6-10(11(9)13)8(15)5-7(14-6)12(16)18-2/h3-5H,1-2H3,(H,14,15)
InChIKeyPZOXYFUOWCCQEG-UHFFFAOYSA-N
XLogP1.46
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate 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

methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate
CID 114252907
methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 63376397
methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylate
CID 2741057
methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate
CID 131390068
5-methoxycarbonyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 66595028
sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate
CID 67227531
methyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-2-carboxylate
CID 22017497
methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
CID 130408699
methyl 5-fluoro-4-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-2-carboxylate
CID 75486632
methyl 5-methylsulfanyl-1H-indole-2-carboxylate
CID 145163605
methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate
CID 53419693
methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate
CID 16726758

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate (CID 131850530) is methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate is COC(=O)c1cc(=O)c2c(F)c(OC)ccc2[nH]1.
What is the InChIKey of methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is PZOXYFUOWCCQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4/c1-17-9-4-3-6-10(11(9)13)8(15)5-7(14-6)12(16)18-2/h3-5H,1-2H3,(H,14,15).
What are the key properties of methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate?
methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 251.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 131850530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).