methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate

C14H13BrFNO3 — CID 102942028

IUPACmethyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)C)c2c(Br)ccc(F)c2n1
InChIInChI=1S/C14H13BrFNO3/c1-7(2)20-11-6-10(14(18)19-3)17-13-9(16)5-4-8(15)12(11)13/h4-7H,1-3H3
InChIKeyGRZWJBNFIYIISI-UHFFFAOYSA-N
MW342.16 g/mol
LogP3.71
Rot. Bonds3

About methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate

methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate (PubChem CID 102942028) has the molecular formula C14H13BrFNO3 and a molecular weight of 342.16 g/mol. Its IUPAC name is methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
PubChem CID102942028
Molecular FormulaC14H13BrFNO3
Molecular Weight342.16 g/mol
Exact Mass341.01
IUPAC Namemethyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)C)c2c(Br)ccc(F)c2n1
InChIInChI=1S/C14H13BrFNO3/c1-7(2)20-11-6-10(14(18)19-3)17-13-9(16)5-4-8(15)12(11)13/h4-7H,1-3H3
InChIKeyGRZWJBNFIYIISI-UHFFFAOYSA-N
XLogP3.71
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941932
methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941918
methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941854
methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102942117
methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941983
methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate
CID 102941888
methyl 5-bromo-4-ethoxy-6,8-difluoroquinoline-2-carboxylate
CID 102942154
methyl 8-chloro-6-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941876
methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
CID 102942093
8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid
CID 102941896
methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
CID 103416918
methyl 4-ethoxy-5,7,8-trifluoroquinoline-2-carboxylate
CID 102942041

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate?
The IUPAC name of methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate (CID 102942028) is methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate?
The canonical SMILES for methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate is COC(=O)c1cc(OC(C)C)c2c(Br)ccc(F)c2n1.
What is the InChIKey of methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate?
The InChIKey is GRZWJBNFIYIISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3/c1-7(2)20-11-6-10(14(18)19-3)17-13-9(16)5-4-8(15)12(11)13/h4-7H,1-3H3.
What are the key properties of methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate?
methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate has a molecular weight of 342.16 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate is sourced from PubChem (CID 102942028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).