ethyl 4,7-dichloro-6-fluoroquinoline-3-carboxylate

C12H8Cl2FNO2 — CID 2779525

IUPACethyl 4,7-dichloro-6-fluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Cl)c(F)cc2c1Cl
InChIInChI=1S/C12H8Cl2FNO2/c1-2-18-12(17)7-5-16-10-4-8(13)9(15)3-6(10)11(7)14/h3-5H,2H2,1H3
InChIKeyVTLWFGZACOOWFR-UHFFFAOYSA-N
MW288.11 g/mol
LogP3.86
Rot. Bonds2

About ethyl 4,7-dichloro-6-fluoroquinoline-3-carboxylate

ethyl 4,7-dichloro-6-fluoroquinoline-3-carboxylate (PubChem CID 2779525) has the molecular formula C12H8Cl2FNO2 and a molecular weight of 288.11 g/mol. Its IUPAC name is ethyl 4,7-dichloro-6-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,7-dichloro-6-fluoroquinoline-3-carboxylate
PubChem CID2779525
Molecular FormulaC12H8Cl2FNO2
Molecular Weight288.11 g/mol
Exact Mass286.99
IUPAC Nameethyl 4,7-dichloro-6-fluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Cl)c(F)cc2c1Cl
InChIInChI=1S/C12H8Cl2FNO2/c1-2-18-12(17)7-5-16-10-4-8(13)9(15)3-6(10)11(7)14/h3-5H,2H2,1H3
InChIKeyVTLWFGZACOOWFR-UHFFFAOYSA-N
XLogP3.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4,7-dichloro-6-fluoroquinoline-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 4,7-dichloro-6-fluoroquinoline-3-carboxylate?
The IUPAC name of ethyl 4,7-dichloro-6-fluoroquinoline-3-carboxylate (CID 2779525) is ethyl 4,7-dichloro-6-fluoroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4,7-dichloro-6-fluoroquinoline-3-carboxylate?
The canonical SMILES for ethyl 4,7-dichloro-6-fluoroquinoline-3-carboxylate is CCOC(=O)c1cnc2cc(Cl)c(F)cc2c1Cl.
What is the InChIKey of ethyl 4,7-dichloro-6-fluoroquinoline-3-carboxylate?
The InChIKey is VTLWFGZACOOWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO2/c1-2-18-12(17)7-5-16-10-4-8(13)9(15)3-6(10)11(7)14/h3-5H,2H2,1H3.
What are the key properties of ethyl 4,7-dichloro-6-fluoroquinoline-3-carboxylate?
ethyl 4,7-dichloro-6-fluoroquinoline-3-carboxylate has a molecular weight of 288.11 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,7-dichloro-6-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 2779525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).