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

C22H10F4N2O — CID 16064899

IUPAC4-[6-(2,4-difluorophenyl)-2-oxoquinolizin-1-yl]-3,5-difluorobenzonitrile
SMILESC1=CC2=C(C(=O)C=CN2C(=C1)C3=C(C=C(C=C3)F)F)C4=C(C=C(C=C4F)C#N)F
InChIInChI=1S/C22H10F4N2O/c23-13-4-5-14(15(24)10-13)18-2-1-3-19-22(20(29)6-7-28(18)19)21-16(25)8-12(11-27)9-17(21)26/h1-10H
InChIKeyADVMYQPPDMNMIL-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.60
Rot. Bonds2

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

4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzonitrile (PubChem CID 16064899) has the molecular formula C22H10F4N2O and a molecular weight of 394.30 g/mol. Its IUPAC name is 4-[6-(2,4-difluorophenyl)-2-oxoquinolizin-1-yl]-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzonitrile
PubChem CID16064899
Molecular FormulaC22H10F4N2O
Molecular Weight394.30 g/mol
Exact Mass394.07
IUPAC Name4-[6-(2,4-difluorophenyl)-2-oxoquinolizin-1-yl]-3,5-difluorobenzonitrile
SMILESC1=CC2=C(C(=O)C=CN2C(=C1)C3=C(C=C(C=C3)F)F)C4=C(C=C(C=C4F)C#N)F
InChIInChI=1S/C22H10F4N2O/c23-13-4-5-14(15(24)10-13)18-2-1-3-19-22(20(29)6-7-28(18)19)21-16(25)8-12(11-27)9-17(21)26/h1-10H
InChIKeyADVMYQPPDMNMIL-UHFFFAOYSA-N
XLogP4.60
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity855

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzonitrile?
The IUPAC name of 4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzonitrile (CID 16064899) is 4-[6-(2,4-difluorophenyl)-2-oxoquinolizin-1-yl]-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzonitrile?
The canonical SMILES for 4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzonitrile is C1=CC2=C(C(=O)C=CN2C(=C1)C3=C(C=C(C=C3)F)F)C4=C(C=C(C=C4F)C#N)F.
What is the InChIKey of 4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzonitrile?
The InChIKey is ADVMYQPPDMNMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10F4N2O/c23-13-4-5-14(15(24)10-13)18-2-1-3-19-22(20(29)6-7-28(18)19)21-16(25)8-12(11-27)9-17(21)26/h1-10H.
What are the key properties of 4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzonitrile?
4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl)-3,5-difluorobenzonitrile has a molecular weight of 394.30 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 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-difluorobenzonitrile is sourced from PubChem (CID 16064899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).