3-amino-1-hydroxy-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-2-one

C16H13F3N2O3 — CID 68786297

IUPAC3-amino-1-hydroxy-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-2-one
SMILESNC1Cc2ccc(-c3cccc(OC(F)(F)F)c3)cc2N(O)C1=O
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)24-12-3-1-2-9(6-12)10-4-5-11-7-13(20)15(22)21(23)14(11)8-10/h1-6,8,13,23H,7,20H2
InChIKeyZCRRNDITLJXXLL-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.86
Rot. Bonds2

About 3-amino-1-hydroxy-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-2-one

3-amino-1-hydroxy-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-2-one (PubChem CID 68786297) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-amino-1-hydroxy-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-amino-1-hydroxy-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-2-one
PubChem CID68786297
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Name3-amino-1-hydroxy-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-2-one
SMILESNC1Cc2ccc(-c3cccc(OC(F)(F)F)c3)cc2N(O)C1=O
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)24-12-3-1-2-9(6-12)10-4-5-11-7-13(20)15(22)21(23)14(11)8-10/h1-6,8,13,23H,7,20H2
InChIKeyZCRRNDITLJXXLL-UHFFFAOYSA-N
XLogP2.86
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 19710959
ethyl 2-[2-oxo-5-[3-(trifluoromethoxy)phenyl]-3H-indol-1-yl]acetate
CID 52933447
7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one
CID 169422666
ethyl 2-[2-oxo-6-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-1-yl]acetate
CID 71549286
(3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one
CID 177164742
4-(2-chloroethyl)-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 89487154
4-(2-aminoethyl)-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 71523179
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134626076
4-(2-aminoethyl)-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;hydrochloride
CID 90373947
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-hydroxy-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 3-amino-1-hydroxy-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-2-one (CID 68786297) is 3-amino-1-hydroxy-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-amino-1-hydroxy-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 3-amino-1-hydroxy-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-2-one is NC1Cc2ccc(-c3cccc(OC(F)(F)F)c3)cc2N(O)C1=O.
What is the InChIKey of 3-amino-1-hydroxy-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-2-one?
The InChIKey is ZCRRNDITLJXXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c17-16(18,19)24-12-3-1-2-9(6-12)10-4-5-11-7-13(20)15(22)21(23)14(11)8-10/h1-6,8,13,23H,7,20H2.
What are the key properties of 3-amino-1-hydroxy-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-2-one?
3-amino-1-hydroxy-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-2-one has a molecular weight of 338.29 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-hydroxy-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68786297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).