7-(methylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

C11H9F3N2O — CID 22279012

IUPAC7-(methylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C11H9F3N2O/c1-15-6-2-3-7-8(11(12,13)14)5-10(17)16-9(7)4-6/h2-5,15H,1H3,(H,16,17)
InChIKeyVAHVDMYRASESOR-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.59
Rot. Bonds1

About 7-(methylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

7-(methylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279012) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 7-(methylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(methylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279012
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name7-(methylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C11H9F3N2O/c1-15-6-2-3-7-8(11(12,13)14)5-10(17)16-9(7)4-6/h2-5,15H,1H3,(H,16,17)
InChIKeyVAHVDMYRASESOR-UHFFFAOYSA-N
XLogP2.59
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Lgd 2226
CID 11560224
4-Methylquinolin-2-ol
CID 69088
N-[2-(trifluoromethyl)phenyl]acetamide
CID 67655
6-Methylquinolin-2(1H)-one
CID 12237458
N-[4-(trifluoromethyl)phenyl]acetamide
CID 67685
N-(3-amino-4-methylphenyl)acetamide
CID 22865
LG-121071
CID 9839132
6-[Bis(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9820051
6-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9884851
6-[Ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9927792
6-[Bis(2,2,2-trifluoroethyl)amino]-4-methyl-1,2-dihydroquinolin-2-one
CID 22279296
Acetanilide, 4'-ethyl-2,2,2-trifluoro-
CID 26767

Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-(methylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279012) is 7-(methylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-(methylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-(methylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is CNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1.
What is the InChIKey of 7-(methylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is VAHVDMYRASESOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-15-6-2-3-7-8(11(12,13)14)5-10(17)16-9(7)4-6/h2-5,15H,1H3,(H,16,17).
What are the key properties of 7-(methylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
7-(methylamino)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 242.20 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).