7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one

C10H7F3N2O — CID 78173897

IUPAC7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one
SMILESNC1=CC2=NC(=O)C=C(C(F)(F)F)C2C=C1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-4-9(16)15-8-3-5(14)1-2-6(7)8/h1-4,6H,14H2
InChIKeyXRAYHAAHRAZDCC-UHFFFAOYSA-N
MW228.17 g/mol
LogP1.48
Rot. Bonds

About 7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one

7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one (PubChem CID 78173897) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one.

Molecular Properties

Compound Name7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one
PubChem CID78173897
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one
SMILESNC1=CC2=NC(=O)C=C(C(F)(F)F)C2C=C1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-4-9(16)15-8-3-5(14)1-2-6(7)8/h1-4,6H,14H2
InChIKeyXRAYHAAHRAZDCC-UHFFFAOYSA-N
XLogP1.48
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-amino-4-(trifluoromethyl)-4aH-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

Related Compounds

6-amino-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73240360
4-(trifluoromethyl)-4aH-quinolin-2-one
CID 78292195
6-fluoro-4-(trifluoromethyl)-4aH-quinolin-2-one
CID 122130455
7-amino-4-methyl-4aH-quinolin-2-one
CID 71304004
6-amino-4aH-quinolin-2-one
CID 72218604
4-amino-4aH-quinolin-2-one
CID 72218613
7-amino-4aH-quinolin-2-one
CID 73473129
6-Amino-3-ethyl-4-methyl-2(1H)-quinolinone
CID 133661178

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one?
The IUPAC name of 7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one (CID 78173897) is 7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one.
What is the SMILES notation for 7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one?
The canonical SMILES for 7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one is NC1=CC2=NC(=O)C=C(C(F)(F)F)C2C=C1.
What is the InChIKey of 7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one?
The InChIKey is XRAYHAAHRAZDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)7-4-9(16)15-8-3-5(14)1-2-6(7)8/h1-4,6H,14H2.
What are the key properties of 7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one?
7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one has a molecular weight of 228.17 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(trifluoromethyl)-4aH-quinolin-2-one is sourced from PubChem (CID 78173897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).