(3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2-one

C17H12F6N2O2 — CID 59627076

IUPAC(3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2cc(-c3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)c2N(O)C1=O
InChIInChI=1S/C17H12F6N2O2/c18-16(19,20)11-3-1-8(2-4-11)9-5-10-7-13(24)15(26)25(27)14(10)12(6-9)17(21,22)23/h1-6,13,27H,7,24H2/t13-/m0/s1
InChIKeyKJMNHAZSGJYXPF-ZDUSSCGKSA-N
MW390.28 g/mol
LogP4.00
Rot. Bonds1

About (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2-one

(3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2-one (PubChem CID 59627076) has the molecular formula C17H12F6N2O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2-one
PubChem CID59627076
Molecular FormulaC17H12F6N2O2
Molecular Weight390.28 g/mol
Exact Mass390.08
IUPAC Name(3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2cc(-c3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)c2N(O)C1=O
InChIInChI=1S/C17H12F6N2O2/c18-16(19,20)11-3-1-8(2-4-11)9-5-10-7-13(24)15(26)25(27)14(10)12(6-9)17(21,22)23/h1-6,13,27H,7,24H2/t13-/m0/s1
InChIKeyKJMNHAZSGJYXPF-ZDUSSCGKSA-N
XLogP4.00
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-amino-1-hydroxy-6-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 53253721
(3S)-3-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-hydroxy-3,4-dihydroquinolin-2-one
CID 68782877
3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one
CID 91256684
1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 87232370
1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone
CID 175647118
[3-tert-butyl-2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-1-yl] acetate
CID 46205618
1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene
CID 57139215
(3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 178034521
(3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one
CID 68779596
3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 117222163
4,8-bis(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,3,5,7-tetrone
CID 146511854
2-[2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-1-yl]acetonitrile
CID 46202390

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2-one (CID 59627076) is (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2-one is N[C@H]1Cc2cc(-c3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)c2N(O)C1=O.
What is the InChIKey of (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2-one?
The InChIKey is KJMNHAZSGJYXPF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H12F6N2O2/c18-16(19,20)11-3-1-8(2-4-11)9-5-10-7-13(24)15(26)25(27)14(10)12(6-9)17(21,22)23/h1-6,13,27H,7,24H2/t13-/m0/s1.
What are the key properties of (3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2-one?
(3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2-one has a molecular weight of 390.28 g/mol, XLogP of 4.00, 1 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)-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 59627076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).