(3S)-3-amino-6-(2,5-difluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one

C15H12F2N2O3 — CID 68781676

IUPAC(3S)-3-amino-6-(2,5-difluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2cc(Oc3cc(F)ccc3F)ccc2N(O)C1=O
InChIInChI=1S/C15H12F2N2O3/c16-9-1-3-11(17)14(7-9)22-10-2-4-13-8(5-10)6-12(18)15(20)19(13)21/h1-5,7,12,21H,6,18H2/t12-/m0/s1
InChIKeyNJUDCGHPWUTYLB-LBPRGKRZSA-N
MW306.27 g/mol
LogP2.36
Rot. Bonds2

About (3S)-3-amino-6-(2,5-difluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one

(3S)-3-amino-6-(2,5-difluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one (PubChem CID 68781676) has the molecular formula C15H12F2N2O3 and a molecular weight of 306.27 g/mol. Its IUPAC name is (3S)-3-amino-6-(2,5-difluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-6-(2,5-difluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one
PubChem CID68781676
Molecular FormulaC15H12F2N2O3
Molecular Weight306.27 g/mol
Exact Mass306.08
IUPAC Name(3S)-3-amino-6-(2,5-difluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2cc(Oc3cc(F)ccc3F)ccc2N(O)C1=O
InChIInChI=1S/C15H12F2N2O3/c16-9-1-3-11(17)14(7-9)22-10-2-4-13-8(5-10)6-12(18)15(20)19(13)21/h1-5,7,12,21H,6,18H2/t12-/m0/s1
InChIKeyNJUDCGHPWUTYLB-LBPRGKRZSA-N
XLogP2.36
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (3S)-3-amino-6-(2,5-difluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-3-amino-6-(2,5-difluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one (CID 68781676) is (3S)-3-amino-6-(2,5-difluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-3-amino-6-(2,5-difluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-3-amino-6-(2,5-difluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one is N[C@H]1Cc2cc(Oc3cc(F)ccc3F)ccc2N(O)C1=O.
What is the InChIKey of (3S)-3-amino-6-(2,5-difluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one?
The InChIKey is NJUDCGHPWUTYLB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H12F2N2O3/c16-9-1-3-11(17)14(7-9)22-10-2-4-13-8(5-10)6-12(18)15(20)19(13)21/h1-5,7,12,21H,6,18H2/t12-/m0/s1.
What are the key properties of (3S)-3-amino-6-(2,5-difluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one?
(3S)-3-amino-6-(2,5-difluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one has a molecular weight of 306.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-6-(2,5-difluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68781676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).