1-amino-6-methyl-4-(trifluoromethyl)quinolin-2-one

C11H9F3N2O — CID 159184969

IUPAC1-amino-6-methyl-4-(trifluoromethyl)quinolin-2-one
SMILESCc1ccc2c(c1)c(C(F)(F)F)cc(=O)n2N
InChIInChI=1S/C11H9F3N2O/c1-6-2-3-9-7(4-6)8(11(12,13)14)5-10(17)16(9)15/h2-5H,15H2,1H3
InChIKeyKNJGYBIYGOZDPA-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.04
Rot. Bonds

About 1-amino-6-methyl-4-(trifluoromethyl)quinolin-2-one

1-amino-6-methyl-4-(trifluoromethyl)quinolin-2-one (PubChem CID 159184969) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 1-amino-6-methyl-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name1-amino-6-methyl-4-(trifluoromethyl)quinolin-2-one
PubChem CID159184969
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name1-amino-6-methyl-4-(trifluoromethyl)quinolin-2-one
SMILESCc1ccc2c(c1)c(C(F)(F)F)cc(=O)n2N
InChIInChI=1S/C11H9F3N2O/c1-6-2-3-9-7(4-6)8(11(12,13)14)5-10(17)16(9)15/h2-5H,15H2,1H3
InChIKeyKNJGYBIYGOZDPA-UHFFFAOYSA-N
XLogP2.04
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-methyl-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 1-amino-6-methyl-4-(trifluoromethyl)quinolin-2-one (CID 159184969) is 1-amino-6-methyl-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 1-amino-6-methyl-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 1-amino-6-methyl-4-(trifluoromethyl)quinolin-2-one is Cc1ccc2c(c1)c(C(F)(F)F)cc(=O)n2N.
What is the InChIKey of 1-amino-6-methyl-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is KNJGYBIYGOZDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-6-2-3-9-7(4-6)8(11(12,13)14)5-10(17)16(9)15/h2-5H,15H2,1H3.
What are the key properties of 1-amino-6-methyl-4-(trifluoromethyl)quinolin-2-one?
1-amino-6-methyl-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 242.20 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-methyl-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 159184969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).