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

C11H9F3N2O — CID 22279187

IUPAC7-amino-6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N
InChIInChI=1S/C11H9F3N2O/c1-5-2-6-7(11(12,13)14)3-10(17)16-9(6)4-8(5)15/h2-4H,15H2,1H3,(H,16,17)
InChIKeyLOYHBAJWDJGLOK-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.44
Rot. Bonds

About 7-amino-6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one

7-amino-6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279187) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 7-amino-6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279187
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name7-amino-6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N
InChIInChI=1S/C11H9F3N2O/c1-5-2-6-7(11(12,13)14)3-10(17)16-9(6)4-8(5)15/h2-4H,15H2,1H3,(H,16,17)
InChIKeyLOYHBAJWDJGLOK-UHFFFAOYSA-N
XLogP2.44
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279187) is 7-amino-6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one is Cc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N.
What is the InChIKey of 7-amino-6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is LOYHBAJWDJGLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-5-2-6-7(11(12,13)14)3-10(17)16-9(6)4-8(5)15/h2-4H,15H2,1H3,(H,16,17).
What are the key properties of 7-amino-6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one?
7-amino-6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 242.20 g/mol, XLogP of 2.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).