3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one

C14H12FN3O3 — CID 68783665

IUPAC3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESNC1Cc2cc(Oc3ccc(F)cn3)ccc2N(O)C1=O
InChIInChI=1S/C14H12FN3O3/c15-9-1-4-13(17-7-9)21-10-2-3-12-8(5-10)6-11(16)14(19)18(12)20/h1-5,7,11,20H,6,16H2
InChIKeyGGPVFNBOWGSTSY-UHFFFAOYSA-N
MW289.27 g/mol
LogP1.62
Rot. Bonds2

About 3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one

3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one (PubChem CID 68783665) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one
PubChem CID68783665
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESNC1Cc2cc(Oc3ccc(F)cn3)ccc2N(O)C1=O
InChIInChI=1S/C14H12FN3O3/c15-9-1-4-13(17-7-9)21-10-2-3-12-8(5-10)6-11(16)14(19)18(12)20/h1-5,7,11,20H,6,16H2
InChIKeyGGPVFNBOWGSTSY-UHFFFAOYSA-N
XLogP1.62
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one?
The IUPAC name of 3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one (CID 68783665) is 3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for 3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one is NC1Cc2cc(Oc3ccc(F)cn3)ccc2N(O)C1=O.
What is the InChIKey of 3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one?
The InChIKey is GGPVFNBOWGSTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-9-1-4-13(17-7-9)21-10-2-3-12-8(5-10)6-11(16)14(19)18(12)20/h1-5,7,11,20H,6,16H2.
What are the key properties of 3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one?
3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one has a molecular weight of 289.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68783665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).