ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate

C13H11ClFNO3 — CID 22136427

IUPACethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(F)c(OC)cc2c1Cl
InChIInChI=1S/C13H11ClFNO3/c1-3-19-13(17)8-6-16-10-5-9(15)11(18-2)4-7(10)12(8)14/h4-6H,3H2,1-2H3
InChIKeyLHJROYKZZLBEJA-UHFFFAOYSA-N
MW283.69 g/mol
LogP3.21
Rot. Bonds3

About ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate

ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate (PubChem CID 22136427) has the molecular formula C13H11ClFNO3 and a molecular weight of 283.69 g/mol. Its IUPAC name is ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
PubChem CID22136427
Molecular FormulaC13H11ClFNO3
Molecular Weight283.69 g/mol
Exact Mass283.04
IUPAC Nameethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(F)c(OC)cc2c1Cl
InChIInChI=1S/C13H11ClFNO3/c1-3-19-13(17)8-6-16-10-5-9(15)11(18-2)4-7(10)12(8)14/h4-6H,3H2,1-2H3
InChIKeyLHJROYKZZLBEJA-UHFFFAOYSA-N
XLogP3.21
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 54773034
ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate
CID 54772978
methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410
ethyl 4,6-dichloro-7-(trifluoromethyl)quinoline-3-carboxylate
CID 66487307
ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate
CID 163217955
ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate
CID 103996712
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
CID 135735505
ethyl 4-chloro-6-propylquinoline-3-carboxylate
CID 30058351
ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate
CID 43617132
ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate
CID 107623171
ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate
CID 129247905
ethyl 4-chloro-2-(4-fluoro-3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59777590

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate (CID 22136427) is ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2cc(F)c(OC)cc2c1Cl.
What is the InChIKey of ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate?
The InChIKey is LHJROYKZZLBEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3/c1-3-19-13(17)8-6-16-10-5-9(15)11(18-2)4-7(10)12(8)14/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate?
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate has a molecular weight of 283.69 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 22136427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).