1-amino-9-(trifluoromethyl)quinolizin-4-one

C10H7F3N2O — CID 115036492

IUPAC1-amino-9-(trifluoromethyl)quinolizin-4-one
SMILESNc1ccc(=O)n2cccc(C(F)(F)F)c12
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)6-2-1-5-15-8(16)4-3-7(14)9(6)15/h1-5H,14H2
InChIKeyNTIMGTBRFCWCCM-UHFFFAOYSA-N
MW228.17 g/mol
LogP1.90
Rot. Bonds

About 1-amino-9-(trifluoromethyl)quinolizin-4-one

1-amino-9-(trifluoromethyl)quinolizin-4-one (PubChem CID 115036492) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 1-amino-9-(trifluoromethyl)quinolizin-4-one.

Molecular Properties

Compound Name1-amino-9-(trifluoromethyl)quinolizin-4-one
PubChem CID115036492
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name1-amino-9-(trifluoromethyl)quinolizin-4-one
SMILESNc1ccc(=O)n2cccc(C(F)(F)F)c12
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)6-2-1-5-15-8(16)4-3-7(14)9(6)15/h1-5H,14H2
InChIKeyNTIMGTBRFCWCCM-UHFFFAOYSA-N
XLogP1.90
TPSA47.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-amino-9-(trifluoromethyl)quinolizin-4-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 1-amino-9-(trifluoromethyl)quinolizin-4-one?
The IUPAC name of 1-amino-9-(trifluoromethyl)quinolizin-4-one (CID 115036492) is 1-amino-9-(trifluoromethyl)quinolizin-4-one.
What is the SMILES notation for 1-amino-9-(trifluoromethyl)quinolizin-4-one?
The canonical SMILES for 1-amino-9-(trifluoromethyl)quinolizin-4-one is Nc1ccc(=O)n2cccc(C(F)(F)F)c12.
What is the InChIKey of 1-amino-9-(trifluoromethyl)quinolizin-4-one?
The InChIKey is NTIMGTBRFCWCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)6-2-1-5-15-8(16)4-3-7(14)9(6)15/h1-5H,14H2.
What are the key properties of 1-amino-9-(trifluoromethyl)quinolizin-4-one?
1-amino-9-(trifluoromethyl)quinolizin-4-one has a molecular weight of 228.17 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-9-(trifluoromethyl)quinolizin-4-one is sourced from PubChem (CID 115036492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).