7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

C13H12BrF3N2O — CID 22279024

IUPAC7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC(C)Nc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1Br
InChIInChI=1S/C13H12BrF3N2O/c1-6(2)18-11-3-7-8(13(15,16)17)4-12(20)19-10(7)5-9(11)14/h3-6,18H,1-2H3,(H,19,20)
InChIKeyLKHITGFDFKVEJX-UHFFFAOYSA-N
MW349.15 g/mol
LogP4.13
Rot. Bonds2

About 7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279024) has the molecular formula C13H12BrF3N2O and a molecular weight of 349.15 g/mol. Its IUPAC name is 7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279024
Molecular FormulaC13H12BrF3N2O
Molecular Weight349.15 g/mol
Exact Mass348.01
IUPAC Name7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC(C)Nc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1Br
InChIInChI=1S/C13H12BrF3N2O/c1-6(2)18-11-3-7-8(13(15,16)17)4-12(20)19-10(7)5-9(11)14/h3-6,18H,1-2H3,(H,19,20)
InChIKeyLKHITGFDFKVEJX-UHFFFAOYSA-N
XLogP4.13
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.15
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279024) is 7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is CC(C)Nc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1Br.
What is the InChIKey of 7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is LKHITGFDFKVEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2O/c1-6(2)18-11-3-7-8(13(15,16)17)4-12(20)19-10(7)5-9(11)14/h3-6,18H,1-2H3,(H,19,20).
What are the key properties of 7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 349.15 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).