6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one

C11H11F3N2O — CID 117209532

IUPAC6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c1ccc(N)c2C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c1-16-8-4-3-7(15)10(11(12,13)14)6(8)2-5-9(16)17/h3-4H,2,5,15H2,1H3
InChIKeyDIXZZBKKPQBXSV-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.20
Rot. Bonds

About 6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one

6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one (PubChem CID 117209532) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one
PubChem CID117209532
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c1ccc(N)c2C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c1-16-8-4-3-7(15)10(11(12,13)14)6(8)2-5-9(16)17/h3-4H,2,5,15H2,1H3
InChIKeyDIXZZBKKPQBXSV-UHFFFAOYSA-N
XLogP2.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 117209566
5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one
CID 117209554
5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 22413807
6-(2-amino-1,1-difluoro-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116839401
1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one
CID 134506749
5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117359712
1-methyl-4-(trifluoromethyl)-3H-indol-2-one
CID 57380795
1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one
CID 159673428
1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
CID 116932140
1-methyl-7-(trifluoromethyl)-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84631098
1-methyl-6-(1-methylcyclopropanecarbonyl)-3,4-dihydroquinolin-2-one
CID 82293701
5-(isocyanatomethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117307973

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one (CID 117209532) is 6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2c1ccc(N)c2C(F)(F)F.
What is the InChIKey of 6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is DIXZZBKKPQBXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-16-8-4-3-7(15)10(11(12,13)14)6(8)2-5-9(16)17/h3-4H,2,5,15H2,1H3.
What are the key properties of 6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 244.22 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 117209532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).