ethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate

C13H11F2NO3 — CID 14423855

IUPACethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C)c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C13H11F2NO3/c1-3-19-13(18)8-6-16(2)11-5-10(15)9(14)4-7(11)12(8)17/h4-6H,3H2,1-2H3
InChIKeyGTPFLEGLYUEYQO-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.99
Rot. Bonds2

About ethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate

ethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate (PubChem CID 14423855) has the molecular formula C13H11F2NO3 and a molecular weight of 267.23 g/mol. Its IUPAC name is ethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate
PubChem CID14423855
Molecular FormulaC13H11F2NO3
Molecular Weight267.23 g/mol
Exact Mass267.07
IUPAC Nameethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C)c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C13H11F2NO3/c1-3-19-13(18)8-6-16(2)11-5-10(15)9(14)4-7(11)12(8)17/h4-6H,3H2,1-2H3
InChIKeyGTPFLEGLYUEYQO-UHFFFAOYSA-N
XLogP1.99
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate 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 ethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate (CID 14423855) is ethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(C)c2cc(F)c(F)cc2c1=O.
What is the InChIKey of ethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate?
The InChIKey is GTPFLEGLYUEYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3/c1-3-19-13(18)8-6-16(2)11-5-10(15)9(14)4-7(11)12(8)17/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate?
ethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate has a molecular weight of 267.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 14423855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).