3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one

C15H12F2N2O2 — CID 91256684

IUPAC3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESNC1Cc2ccc(-c3cc(F)ccc3F)cc2N(O)C1=O
InChIInChI=1S/C15H12F2N2O2/c16-10-3-4-12(17)11(7-10)8-1-2-9-5-13(18)15(20)19(21)14(9)6-8/h1-4,6-7,13,21H,5,18H2
InChIKeyKQZPUUWYQIVJAI-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.24
Rot. Bonds1

About 3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one

3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one (PubChem CID 91256684) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one
PubChem CID91256684
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESNC1Cc2ccc(-c3cc(F)ccc3F)cc2N(O)C1=O
InChIInChI=1S/C15H12F2N2O2/c16-10-3-4-12(17)11(7-10)8-1-2-9-5-13(18)15(20)19(21)14(9)6-8/h1-4,6-7,13,21H,5,18H2
InChIKeyKQZPUUWYQIVJAI-UHFFFAOYSA-N
XLogP2.24
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one?
The IUPAC name of 3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one (CID 91256684) is 3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for 3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one is NC1Cc2ccc(-c3cc(F)ccc3F)cc2N(O)C1=O.
What is the InChIKey of 3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one?
The InChIKey is KQZPUUWYQIVJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c16-10-3-4-12(17)11(7-10)8-1-2-9-5-13(18)15(20)19(21)14(9)6-8/h1-4,6-7,13,21H,5,18H2.
What are the key properties of 3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one?
3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one has a molecular weight of 290.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 91256684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).