methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate

C13H11FN2O3 — CID 110464431

IUPACmethyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc2cc(F)ccc2n1
InChIInChI=1S/C13H11FN2O3/c1-19-12(17)7-15-13(18)11-4-2-8-6-9(14)3-5-10(8)16-11/h2-6H,7H2,1H3,(H,15,18)
InChIKeyGVVBVVODMOWCCH-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.28
Rot. Bonds3

About methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate

methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate (PubChem CID 110464431) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate
PubChem CID110464431
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Namemethyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc2cc(F)ccc2n1
InChIInChI=1S/C13H11FN2O3/c1-19-12(17)7-15-13(18)11-4-2-8-6-9(14)3-5-10(8)16-11/h2-6H,7H2,1H3,(H,15,18)
InChIKeyGVVBVVODMOWCCH-UHFFFAOYSA-N
XLogP1.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate (CID 110464431) is methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate is COC(=O)CNC(=O)c1ccc2cc(F)ccc2n1.
What is the InChIKey of methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate?
The InChIKey is GVVBVVODMOWCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-19-12(17)7-15-13(18)11-4-2-8-6-9(14)3-5-10(8)16-11/h2-6H,7H2,1H3,(H,15,18).
What are the key properties of methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate?
methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate has a molecular weight of 262.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate is sourced from PubChem (CID 110464431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).