methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate

C13H12BrFN2O2 — CID 102614924

IUPACmethyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate
SMILESCNc1c(C(=O)OC)cnc2c(C)cc(Br)c(F)c12
InChIInChI=1S/C13H12BrFN2O2/c1-6-4-8(14)10(15)9-11(6)17-5-7(12(9)16-2)13(18)19-3/h4-5H,1-3H3,(H,16,17)
InChIKeyBQXAGWFTPCZWSI-UHFFFAOYSA-N
MW327.15 g/mol
LogP3.27
Rot. Bonds2

About methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate

methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate (PubChem CID 102614924) has the molecular formula C13H12BrFN2O2 and a molecular weight of 327.15 g/mol. Its IUPAC name is methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate
PubChem CID102614924
Molecular FormulaC13H12BrFN2O2
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC Namemethyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate
SMILESCNc1c(C(=O)OC)cnc2c(C)cc(Br)c(F)c12
InChIInChI=1S/C13H12BrFN2O2/c1-6-4-8(14)10(15)9-11(6)17-5-7(12(9)16-2)13(18)19-3/h4-5H,1-3H3,(H,16,17)
InChIKeyBQXAGWFTPCZWSI-UHFFFAOYSA-N
XLogP3.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate
CID 103587309
methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate
CID 102614873
ethyl 5,6,8-trifluoro-4-(methylamino)quinoline-3-carboxylate
CID 62809200
methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate
CID 102614784
methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate
CID 102614849
ethane;methyl 4-bromo-3-fluoro-5-methyl-2-(methylamino)benzoate
CID 164904310
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
methyl 4,8-dibromo-5-fluoroquinoline-3-carboxylate
CID 107627760
methyl 4-amino-5,6,8-trifluoroquinoline-3-carboxylate
CID 102614880
methyl 4-chloro-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614483
methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate
CID 102614908
methyl 8-bromo-4-chloro-6-fluoroquinoline-3-carboxylate
CID 102614453

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate?
The IUPAC name of methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate (CID 102614924) is methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate.
What is the SMILES notation for methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate?
The canonical SMILES for methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate is CNc1c(C(=O)OC)cnc2c(C)cc(Br)c(F)c12.
What is the InChIKey of methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate?
The InChIKey is BQXAGWFTPCZWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2/c1-6-4-8(14)10(15)9-11(6)17-5-7(12(9)16-2)13(18)19-3/h4-5H,1-3H3,(H,16,17).
What are the key properties of methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate?
methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate has a molecular weight of 327.15 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate is sourced from PubChem (CID 102614924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).