5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C11H13F3N2O — CID 156504598

IUPAC5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCNC1CCCc2[nH]c(=O)cc(C(F)(F)F)c21
InChIInChI=1S/C11H13F3N2O/c1-15-7-3-2-4-8-10(7)6(11(12,13)14)5-9(17)16-8/h5,7,15H,2-4H2,1H3,(H,16,17)
InChIKeyGHAQUDFPIPOXPS-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.99
Rot. Bonds1

About 5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 156504598) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID156504598
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCNC1CCCc2[nH]c(=O)cc(C(F)(F)F)c21
InChIInChI=1S/C11H13F3N2O/c1-15-7-3-2-4-8-10(7)6(11(12,13)14)5-9(17)16-8/h5,7,15H,2-4H2,1H3,(H,16,17)
InChIKeyGHAQUDFPIPOXPS-UHFFFAOYSA-N
XLogP1.99
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 156504598) is 5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one is CNC1CCCc2[nH]c(=O)cc(C(F)(F)F)c21.
What is the InChIKey of 5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is GHAQUDFPIPOXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-15-7-3-2-4-8-10(7)6(11(12,13)14)5-9(17)16-8/h5,7,15H,2-4H2,1H3,(H,16,17).
What are the key properties of 5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 246.23 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 156504598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).