ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxylate

C12H9ClFNO3 — CID 19850127

IUPACethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cc(F)c(Cl)cc2[nH]1
InChIInChI=1S/C12H9ClFNO3/c1-2-18-12(17)10-5-11(16)6-3-8(14)7(13)4-9(6)15-10/h3-5H,2H2,1H3,(H,15,16)
InChIKeyFYHPBTOPOVDOJY-UHFFFAOYSA-N
MW269.66 g/mol
LogP2.50
Rot. Bonds2

About ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxylate

ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxylate (PubChem CID 19850127) has the molecular formula C12H9ClFNO3 and a molecular weight of 269.66 g/mol. Its IUPAC name is ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxylate
PubChem CID19850127
Molecular FormulaC12H9ClFNO3
Molecular Weight269.66 g/mol
Exact Mass269.03
IUPAC Nameethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cc(F)c(Cl)cc2[nH]1
InChIInChI=1S/C12H9ClFNO3/c1-2-18-12(17)10-5-11(16)6-3-8(14)7(13)4-9(6)15-10/h3-5H,2H2,1H3,(H,15,16)
InChIKeyFYHPBTOPOVDOJY-UHFFFAOYSA-N
XLogP2.50
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.66
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 7-chloro-6-fluoro-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

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxylate (CID 19850127) is ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxylate is CCOC(=O)c1cc(=O)c2cc(F)c(Cl)cc2[nH]1.
What is the InChIKey of ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is FYHPBTOPOVDOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO3/c1-2-18-12(17)10-5-11(16)6-3-8(14)7(13)4-9(6)15-10/h3-5H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxylate?
ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 269.66 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 19850127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).