(3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one

C10H9F3N2O2 — CID 53253769

IUPAC(3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2cccc(C(F)(F)F)c2N(O)C1=O
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)6-3-1-2-5-4-7(14)9(16)15(17)8(5)6/h1-3,7,17H,4,14H2/t7-/m0/s1
InChIKeyGUPFBAXEAKMYBJ-ZETCQYMHSA-N
MW246.19 g/mol
LogP1.31
Rot. Bonds

About (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one

(3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one (PubChem CID 53253769) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one
PubChem CID53253769
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name(3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2cccc(C(F)(F)F)c2N(O)C1=O
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)6-3-1-2-5-4-7(14)9(16)15(17)8(5)6/h1-3,7,17H,4,14H2/t7-/m0/s1
InChIKeyGUPFBAXEAKMYBJ-ZETCQYMHSA-N
XLogP1.31
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one (CID 53253769) is (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one is N[C@H]1Cc2cccc(C(F)(F)F)c2N(O)C1=O.
What is the InChIKey of (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is GUPFBAXEAKMYBJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)6-3-1-2-5-4-7(14)9(16)15(17)8(5)6/h1-3,7,17H,4,14H2/t7-/m0/s1.
What are the key properties of (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
(3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 246.19 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 53253769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).