methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate

C11H6BrClFNO2 — CID 102614363

IUPACmethyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(F)ccc(Cl)c2c1Br
InChIInChI=1S/C11H6BrClFNO2/c1-17-11(16)5-4-15-10-7(14)3-2-6(13)8(10)9(5)12/h2-4H,1H3
InChIKeyTZCQITDEKBKUTJ-UHFFFAOYSA-N
MW318.53 g/mol
LogP3.58
Rot. Bonds1

About methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate

methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate (PubChem CID 102614363) has the molecular formula C11H6BrClFNO2 and a molecular weight of 318.53 g/mol. Its IUPAC name is methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate
PubChem CID102614363
Molecular FormulaC11H6BrClFNO2
Molecular Weight318.53 g/mol
Exact Mass316.93
IUPAC Namemethyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(F)ccc(Cl)c2c1Br
InChIInChI=1S/C11H6BrClFNO2/c1-17-11(16)5-4-15-10-7(14)3-2-6(13)8(10)9(5)12/h2-4H,1H3
InChIKeyTZCQITDEKBKUTJ-UHFFFAOYSA-N
XLogP3.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate
CID 102614784
methyl 4,8-dibromo-5-fluoroquinoline-3-carboxylate
CID 107627760
methyl 4,8-dichloro-5-fluoroquinoline-3-carboxylate
CID 107528768
methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate
CID 107627758
methyl 4,5,8-trichloroquinoline-3-carboxylate
CID 102614359
methyl 2-bromo-3-chloro-4-fluorobenzoate
CID 131090831
methyl 4,7,8-trichloroquinoline-3-carboxylate
CID 102614405
methyl 8-bromo-4-chloro-6-fluoroquinoline-3-carboxylate
CID 102614453
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076
methyl 2-(2-bromo-5-fluoro-4-pyridinyl)-5-chlorobenzoate
CID 134324029
methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate
CID 102941888

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate?
The IUPAC name of methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate (CID 102614363) is methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate?
The canonical SMILES for methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate is COC(=O)c1cnc2c(F)ccc(Cl)c2c1Br.
What is the InChIKey of methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate?
The InChIKey is TZCQITDEKBKUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClFNO2/c1-17-11(16)5-4-15-10-7(14)3-2-6(13)8(10)9(5)12/h2-4H,1H3.
What are the key properties of methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate?
methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate has a molecular weight of 318.53 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 102614363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).