1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one

C23H11F4NO — CID 16749634

IUPAC1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one
SMILESO=c1ccn2cc(C#Cc3ccc(F)cc3F)ccc2c1-c1c(F)cccc1F
InChIInChI=1S/C23H11F4NO/c24-16-8-7-15(19(27)12-16)6-4-14-5-9-20-23(21(29)10-11-28(20)13-14)22-17(25)2-1-3-18(22)26/h1-3,5,7-13H
InChIKeyKTAYEOSLLUOWCA-UHFFFAOYSA-N
MW393.34 g/mol
LogP4.92
Rot. Bonds1

About 1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one

1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one (PubChem CID 16749634) has the molecular formula C23H11F4NO and a molecular weight of 393.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one
PubChem CID16749634
Molecular FormulaC23H11F4NO
Molecular Weight393.34 g/mol
Exact Mass393.08
IUPAC Name1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one
SMILESO=c1ccn2cc(C#Cc3ccc(F)cc3F)ccc2c1-c1c(F)cccc1F
InChIInChI=1S/C23H11F4NO/c24-16-8-7-15(19(27)12-16)6-4-14-5-9-20-23(21(29)10-11-28(20)13-14)22-17(25)2-1-3-18(22)26/h1-3,5,7-13H
InChIKeyKTAYEOSLLUOWCA-UHFFFAOYSA-N
XLogP4.92
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one (CID 16749634) is 1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one is O=c1ccn2cc(C#Cc3ccc(F)cc3F)ccc2c1-c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one?
The InChIKey is KTAYEOSLLUOWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H11F4NO/c24-16-8-7-15(19(27)12-16)6-4-14-5-9-20-23(21(29)10-11-28(20)13-14)22-17(25)2-1-3-18(22)26/h1-3,5,7-13H.
What are the key properties of 1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one?
1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one has a molecular weight of 393.34 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one is sourced from PubChem (CID 16749634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).