methyl 2-amino-6-fluoroquinoline-4-carboxylate

C11H9FN2O2 — CID 84623443

IUPACmethyl 2-amino-6-fluoroquinoline-4-carboxylate
SMILESCOC(=O)c1cc(N)nc2ccc(F)cc12
InChIInChI=1S/C11H9FN2O2/c1-16-11(15)8-5-10(13)14-9-3-2-6(12)4-7(8)9/h2-5H,1H3,(H2,13,14)
InChIKeyVQBNIPCFMIYHIB-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.74
Rot. Bonds1

About methyl 2-amino-6-fluoroquinoline-4-carboxylate

methyl 2-amino-6-fluoroquinoline-4-carboxylate (PubChem CID 84623443) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is methyl 2-amino-6-fluoroquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-fluoroquinoline-4-carboxylate
PubChem CID84623443
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Namemethyl 2-amino-6-fluoroquinoline-4-carboxylate
SMILESCOC(=O)c1cc(N)nc2ccc(F)cc12
InChIInChI=1S/C11H9FN2O2/c1-16-11(15)8-5-10(13)14-9-3-2-6(12)4-7(8)9/h2-5H,1H3,(H2,13,14)
InChIKeyVQBNIPCFMIYHIB-UHFFFAOYSA-N
XLogP1.74
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-6-fluoroquinoline-4-carboxylate
CID 50742482
methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate
CID 53248940
methyl 2-amino-7-methylquinoline-4-carboxylate
CID 84622204
2-(chloromethyl)-6-fluoro-3H-quinazolin-4-one;methyl 2-amino-5-fluorobenzoate
CID 159028152
2-bromo-6-fluoroquinoline-4-carboxylic acid
CID 82184190
methyl 6-amino-2,3-dichloropyridine-4-carboxylate
CID 130951422
methyl 2-[2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]-6-fluoroquinoline-4-carboxylate
CID 170148921
dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 4732272
methyl 2-(1-aminoethyl)-6-fluoro-3-methoxyquinoline-4-carboxylate
CID 67124186
methyl 3-(6-fluoro-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82666021
methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate
CID 172649615
methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate
CID 155568119

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-fluoroquinoline-4-carboxylate?
The IUPAC name of methyl 2-amino-6-fluoroquinoline-4-carboxylate (CID 84623443) is methyl 2-amino-6-fluoroquinoline-4-carboxylate.
What is the SMILES notation for methyl 2-amino-6-fluoroquinoline-4-carboxylate?
The canonical SMILES for methyl 2-amino-6-fluoroquinoline-4-carboxylate is COC(=O)c1cc(N)nc2ccc(F)cc12.
What is the InChIKey of methyl 2-amino-6-fluoroquinoline-4-carboxylate?
The InChIKey is VQBNIPCFMIYHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-16-11(15)8-5-10(13)14-9-3-2-6(12)4-7(8)9/h2-5H,1H3,(H2,13,14).
What are the key properties of methyl 2-amino-6-fluoroquinoline-4-carboxylate?
methyl 2-amino-6-fluoroquinoline-4-carboxylate has a molecular weight of 220.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-fluoroquinoline-4-carboxylate is sourced from PubChem (CID 84623443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).