(3S)-3-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one

C16H12F4N2O3 — CID 68782877

IUPAC(3S)-3-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2cc(Oc3ccc(F)c(C(F)(F)F)c3)ccc2N(O)C1=O
InChIInChI=1S/C16H12F4N2O3/c17-12-3-1-10(7-11(12)16(18,19)20)25-9-2-4-14-8(5-9)6-13(21)15(23)22(14)24/h1-5,7,13,24H,6,21H2/t13-/m0/s1
InChIKeyGOGUYJQCDBXONF-ZDUSSCGKSA-N
MW356.28 g/mol
LogP3.24
Rot. Bonds2

About (3S)-3-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one

(3S)-3-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one (PubChem CID 68782877) has the molecular formula C16H12F4N2O3 and a molecular weight of 356.28 g/mol. Its IUPAC name is (3S)-3-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one
PubChem CID68782877
Molecular FormulaC16H12F4N2O3
Molecular Weight356.28 g/mol
Exact Mass356.08
IUPAC Name(3S)-3-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2cc(Oc3ccc(F)c(C(F)(F)F)c3)ccc2N(O)C1=O
InChIInChI=1S/C16H12F4N2O3/c17-12-3-1-10(7-11(12)16(18,19)20)25-9-2-4-14-8(5-9)6-13(21)15(23)22(14)24/h1-5,7,13,24H,6,21H2/t13-/m0/s1
InChIKeyGOGUYJQCDBXONF-ZDUSSCGKSA-N
XLogP3.24
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 53.24
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-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-3-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one (CID 68782877) is (3S)-3-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-3-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-3-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one is N[C@H]1Cc2cc(Oc3ccc(F)c(C(F)(F)F)c3)ccc2N(O)C1=O.
What is the InChIKey of (3S)-3-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one?
The InChIKey is GOGUYJQCDBXONF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H12F4N2O3/c17-12-3-1-10(7-11(12)16(18,19)20)25-9-2-4-14-8(5-9)6-13(21)15(23)22(14)24/h1-5,7,13,24H,6,21H2/t13-/m0/s1.
What are the key properties of (3S)-3-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one?
(3S)-3-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one has a molecular weight of 356.28 g/mol, XLogP of 3.24, 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-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68782877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).