methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate

C13H12F2N2O2 — CID 103587309

IUPACmethyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate
SMILESCNc1c(C(=O)OC)cnc2c(F)cc(C)c(F)c12
InChIInChI=1S/C13H12F2N2O2/c1-6-4-8(14)12-9(10(6)15)11(16-2)7(5-17-12)13(18)19-3/h4-5H,1-3H3,(H,16,17)
InChIKeyFHCXKLMMFBRXHP-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.65
Rot. Bonds2

About methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate

methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate (PubChem CID 103587309) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate
PubChem CID103587309
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Namemethyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate
SMILESCNc1c(C(=O)OC)cnc2c(F)cc(C)c(F)c12
InChIInChI=1S/C13H12F2N2O2/c1-6-4-8(14)12-9(10(6)15)11(16-2)7(5-17-12)13(18)19-3/h4-5H,1-3H3,(H,16,17)
InChIKeyFHCXKLMMFBRXHP-UHFFFAOYSA-N
XLogP2.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate
CID 102614924
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 4-amino-5,6,8-trifluoroquinoline-3-carboxylate
CID 102614880
ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate
CID 103587307
ethyl 4-(ethylamino)-5,6,8-trifluoroquinoline-3-carboxylate
CID 62809371
methyl 4-chloro-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614483
methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate
CID 102614873
methyl 4-azido-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614678
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
methyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 123135276
ethane;methyl 4-bromo-3-fluoro-5-methyl-2-(methylamino)benzoate
CID 164904310

Frequently Asked Questions

What is the IUPAC name of methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate?
The IUPAC name of methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate (CID 103587309) is methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate.
What is the SMILES notation for methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate?
The canonical SMILES for methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate is CNc1c(C(=O)OC)cnc2c(F)cc(C)c(F)c12.
What is the InChIKey of methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate?
The InChIKey is FHCXKLMMFBRXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c1-6-4-8(14)12-9(10(6)15)11(16-2)7(5-17-12)13(18)19-3/h4-5H,1-3H3,(H,16,17).
What are the key properties of methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate?
methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate has a molecular weight of 266.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate is sourced from PubChem (CID 103587309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).