7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one

C11H11F3N2O — CID 163586136

IUPAC7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one
SMILESCc1c(C(F)(F)F)c2c([nH]c1=O)C=C(N)CC2
InChIInChI=1S/C11H11F3N2O/c1-5-9(11(12,13)14)7-3-2-6(15)4-8(7)16-10(5)17/h4H,2-3,15H2,1H3,(H,16,17)
InChIKeyGLQGMVDKAMZYPF-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.95
Rot. Bonds

About 7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one

7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one (PubChem CID 163586136) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one
PubChem CID163586136
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one
SMILESCc1c(C(F)(F)F)c2c([nH]c1=O)C=C(N)CC2
InChIInChI=1S/C11H11F3N2O/c1-5-9(11(12,13)14)7-3-2-6(15)4-8(7)16-10(5)17/h4H,2-3,15H2,1H3,(H,16,17)
InChIKeyGLQGMVDKAMZYPF-UHFFFAOYSA-N
XLogP1.95
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile
CID 1478207
4-Methyl-5,6,7,8-tetrahydroquinolin-2(1h)-one
CID 289263
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2H-isoquinolin-3-one
CID 14114910
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
6-butyl-3-(fluoromethyl)-1H-pyridin-2-one
CID 19012326
6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one
CID 22218162
4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one
CID 22218181
6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one
CID 70023407
4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide
CID 89214940
4-(2-Fluorocyclohexa-1,3-dien-1-yl)-5-methylidenepyrrol-2-one
CID 89336671
4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one
CID 121440112
3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one
CID 121440157

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one (CID 163586136) is 7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one is Cc1c(C(F)(F)F)c2c([nH]c1=O)C=C(N)CC2.
What is the InChIKey of 7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one?
The InChIKey is GLQGMVDKAMZYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-5-9(11(12,13)14)7-3-2-6(15)4-8(7)16-10(5)17/h4H,2-3,15H2,1H3,(H,16,17).
What are the key properties of 7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one?
7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one has a molecular weight of 244.22 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 163586136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).