methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate

C11H8BrFN2O2 — CID 102614854

IUPACmethyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(Br)cc(F)cc2c1N
InChIInChI=1S/C11H8BrFN2O2/c1-17-11(16)7-4-15-10-6(9(7)14)2-5(13)3-8(10)12/h2-4H,1H3,(H2,14,15)
InChIKeyAPHDYLWABQWRKR-UHFFFAOYSA-N
MW299.10 g/mol
LogP2.51
Rot. Bonds1

About methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate

methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate (PubChem CID 102614854) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate
PubChem CID102614854
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC Namemethyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(Br)cc(F)cc2c1N
InChIInChI=1S/C11H8BrFN2O2/c1-17-11(16)7-4-15-10-6(9(7)14)2-5(13)3-8(10)12/h2-4H,1H3,(H2,14,15)
InChIKeyAPHDYLWABQWRKR-UHFFFAOYSA-N
XLogP2.51
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 8-bromo-4-chloro-6-fluoroquinoline-3-carboxylate
CID 102614453
methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate
CID 102614869
ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate
CID 54773005
methyl 4-amino-5,6,8-trifluoroquinoline-3-carboxylate
CID 102614880
4-amino-6,8-difluoroquinoline-3-carboxylic acid
CID 46397763
methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate
CID 102614873
methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate
CID 102614908
methyl 4,8-dibromo-5-fluoroquinoline-3-carboxylate
CID 107627760
methyl 4-amino-8-ethoxyquinoline-3-carboxylate
CID 102614789
methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate
CID 102614920
methyl 2-amino-4-bromopyrimidine-5-carboxylate
CID 131422856
methyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate
CID 102614668

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate?
The IUPAC name of methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate (CID 102614854) is methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate?
The canonical SMILES for methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate is COC(=O)c1cnc2c(Br)cc(F)cc2c1N.
What is the InChIKey of methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate?
The InChIKey is APHDYLWABQWRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c1-17-11(16)7-4-15-10-6(9(7)14)2-5(13)3-8(10)12/h2-4H,1H3,(H2,14,15).
What are the key properties of methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate?
methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate has a molecular weight of 299.10 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 102614854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).