4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzamide

C22H12F4N2O2 — CID 16065042

IUPAC4-[6-(2,4-difluorophenyl)-2-oxoquinolizin-1-yl]-3,5-difluorobenzamide
SMILESC1=CC2=C(C(=O)C=CN2C(=C1)C3=C(C=C(C=C3)F)F)C4=C(C=C(C=C4F)C(=O)N)F
InChIInChI=1S/C22H12F4N2O2/c23-12-4-5-13(14(24)10-12)17-2-1-3-18-21(19(29)6-7-28(17)18)20-15(25)8-11(22(27)30)9-16(20)26/h1-10H,(H2,27,30)
InChIKeyQABNWWXOZYBHJD-UHFFFAOYSA-N
MW412.30 g/mol
LogP3.80
Rot. Bonds3

About 4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzamide

4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzamide (PubChem CID 16065042) has the molecular formula C22H12F4N2O2 and a molecular weight of 412.30 g/mol. Its IUPAC name is 4-[6-(2,4-difluorophenyl)-2-oxoquinolizin-1-yl]-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzamide
PubChem CID16065042
Molecular FormulaC22H12F4N2O2
Molecular Weight412.30 g/mol
Exact Mass412.08
IUPAC Name4-[6-(2,4-difluorophenyl)-2-oxoquinolizin-1-yl]-3,5-difluorobenzamide
SMILESC1=CC2=C(C(=O)C=CN2C(=C1)C3=C(C=C(C=C3)F)F)C4=C(C=C(C=C4F)C(=O)N)F
InChIInChI=1S/C22H12F4N2O2/c23-12-4-5-13(14(24)10-12)17-2-1-3-18-21(19(29)6-7-28(17)18)20-15(25)8-11(22(27)30)9-16(20)26/h1-10H,(H2,27,30)
InChIKeyQABNWWXOZYBHJD-UHFFFAOYSA-N
XLogP3.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity853

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzamide 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-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-2H-quinolizin-2-one
CID 16064456
4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzonitrile
CID 16064899
N-benzyl-4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxamide
CID 1486032
1-(4-Ethylphenyl)-3-[(4-fluorobenzyl)amino]-2-propen-1-one
CID 2189101
3-[(4-Fluorobenzyl)amino]-1-(4-methylphenyl)-2-buten-1-one
CID 5734230
2,6-difluoro-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide
CID 71150055
3-[4-[(dimethylamino)methyl]phenyl]-5-fluoro-2H-isoquinolin-1-one
CID 71736276
(E)-3-[(4-fluorophenyl)methylamino]-1-(4-methylphenyl)prop-2-en-1-one
CID 2171695
1-Benzyl-3-[(2,6-difluorophenyl)methyl]-2-methylpyridin-4-one
CID 44422625
1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-6H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 139030287
4-[[Methyl-[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]methyl]benzamide
CID 45871732
US12459899, Example 162
CID 156317955

Frequently Asked Questions

What is the IUPAC name of 4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzamide?
The IUPAC name of 4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzamide (CID 16065042) is 4-[6-(2,4-difluorophenyl)-2-oxoquinolizin-1-yl]-3,5-difluorobenzamide.
What is the SMILES notation for 4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzamide?
The canonical SMILES for 4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzamide is C1=CC2=C(C(=O)C=CN2C(=C1)C3=C(C=C(C=C3)F)F)C4=C(C=C(C=C4F)C(=O)N)F.
What is the InChIKey of 4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzamide?
The InChIKey is QABNWWXOZYBHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F4N2O2/c23-12-4-5-13(14(24)10-12)17-2-1-3-18-21(19(29)6-7-28(17)18)20-15(25)8-11(22(27)30)9-16(20)26/h1-10H,(H2,27,30).
What are the key properties of 4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzamide?
4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzamide has a molecular weight of 412.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzamide is sourced from PubChem (CID 16065042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).