methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate

C11H6Cl2FNO2 — CID 171157588

IUPACmethyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c2ccc(F)c(Cl)c2n1
InChIInChI=1S/C11H6Cl2FNO2/c1-17-11(16)8-4-6(12)5-2-3-7(14)9(13)10(5)15-8/h2-4H,1H3
InChIKeyCIQWQHRAAFQTMX-UHFFFAOYSA-N
MW274.08 g/mol
LogP3.47
Rot. Bonds1

About methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate

methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate (PubChem CID 171157588) has the molecular formula C11H6Cl2FNO2 and a molecular weight of 274.08 g/mol. Its IUPAC name is methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate
PubChem CID171157588
Molecular FormulaC11H6Cl2FNO2
Molecular Weight274.08 g/mol
Exact Mass272.98
IUPAC Namemethyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c2ccc(F)c(Cl)c2n1
InChIInChI=1S/C11H6Cl2FNO2/c1-17-11(16)8-4-6(12)5-2-3-7(14)9(13)10(5)15-8/h2-4H,1H3
InChIKeyCIQWQHRAAFQTMX-UHFFFAOYSA-N
XLogP3.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.08
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-chloro-8-fluoroquinoline-2-carboxylate
CID 102941497
methyl 4-chloro-6,7-difluoroquinoline-2-carboxylate
CID 63376942
methyl 8-bromo-4-chloroquinoline-2-carboxylate
CID 46739191
dimethyl 6-chloro-8-fluoroquinoline-2,4-dicarboxylate
CID 118170889
methyl 4,6,7-trichloroquinoline-2-carboxylate
CID 34173870
methyl 4-chloro-8-fluoro-6-phenylmethoxyquinoline-2-carboxylate
CID 138584470
methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate
CID 114250699
methyl 4-chloro-8-propylquinoline-2-carboxylate
CID 55183253
methyl 4-chloro-8-ethoxyquinoline-2-carboxylate
CID 63376560
methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636661
methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate
CID 102941888
methyl 7-chloro-4-methylquinoline-2-carboxylate
CID 82574602

Frequently Asked Questions

What is the IUPAC name of methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate?
The IUPAC name of methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate (CID 171157588) is methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate.
What is the SMILES notation for methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate?
The canonical SMILES for methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate is COC(=O)c1cc(Cl)c2ccc(F)c(Cl)c2n1.
What is the InChIKey of methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate?
The InChIKey is CIQWQHRAAFQTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FNO2/c1-17-11(16)8-4-6(12)5-2-3-7(14)9(13)10(5)15-8/h2-4H,1H3.
What are the key properties of methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate?
methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate has a molecular weight of 274.08 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate is sourced from PubChem (CID 171157588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).