3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-2-one

C17H19F3N2O3 — CID 19926922

IUPAC3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-2-one
SMILESCOc1ccc(C(F)(F)F)c2c(NCC(C)C)c(C(C)=O)c(=O)[nH]c12
InChIInChI=1S/C17H19F3N2O3/c1-8(2)7-21-15-12(9(3)23)16(24)22-14-11(25-4)6-5-10(13(14)15)17(18,19)20/h5-6,8H,7H2,1-4H3,(H2,21,22,24)
InChIKeyXMTJGLCNGRKCLI-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.83
Rot. Bonds5

About 3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-2-one

3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 19926922) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID19926922
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-2-one
SMILESCOc1ccc(C(F)(F)F)c2c(NCC(C)C)c(C(C)=O)c(=O)[nH]c12
InChIInChI=1S/C17H19F3N2O3/c1-8(2)7-21-15-12(9(3)23)16(24)22-14-11(25-4)6-5-10(13(14)15)17(18,19)20/h5-6,8H,7H2,1-4H3,(H2,21,22,24)
InChIKeyXMTJGLCNGRKCLI-UHFFFAOYSA-N
XLogP3.83
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-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

Related Compounds

2-acetyl-6-methoxy-3-(trifluoromethyl)benzonitrile
CID 171031244
2-bromo-8-methoxy-5-(trifluoromethyl)-3H-quinazolin-4-one
CID 160922311
methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate
CID 162581639
4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one
CID 19926889
N-[2-ethoxy-4-methoxy-3-(2-methylpropylamino)phenyl]acetamide
CID 70521499
1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 131309529
methyl 4-acetyl-5-methoxy-2-propan-2-yl-1H-indole-3-carboxylate
CID 67700763
methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117474610
1-[6-methoxy-3-methyl-2-(trifluoromethyl)phenyl]ethanone
CID 170996815
2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid
CID 90258096
2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 167264759
8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide
CID 162540354

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-2-one (CID 19926922) is 3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-2-one is COc1ccc(C(F)(F)F)c2c(NCC(C)C)c(C(C)=O)c(=O)[nH]c12.
What is the InChIKey of 3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is XMTJGLCNGRKCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c1-8(2)7-21-15-12(9(3)23)16(24)22-14-11(25-4)6-5-10(13(14)15)17(18,19)20/h5-6,8H,7H2,1-4H3,(H2,21,22,24).
What are the key properties of 3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-2-one?
3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 356.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-8-methoxy-4-(2-methylpropylamino)-5-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 19926922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).