1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one

C21H18FN3O — CID 118627682

IUPAC1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one
SMILESCCc1c(N2C=CC=NC2)c(-c2ccccc2)c(=O)n2cc(F)ccc12
InChIInChI=1S/C21H18FN3O/c1-2-17-18-10-9-16(22)13-25(18)21(26)19(15-7-4-3-5-8-15)20(17)24-12-6-11-23-14-24/h3-13H,2,14H2,1H3
InChIKeyWYSNQVXJJFDUNG-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.03
Rot. Bonds3

About 1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one

1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one (PubChem CID 118627682) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one.

Molecular Properties

Compound Name1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one
PubChem CID118627682
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one
SMILESCCc1c(N2C=CC=NC2)c(-c2ccccc2)c(=O)n2cc(F)ccc12
InChIInChI=1S/C21H18FN3O/c1-2-17-18-10-9-16(22)13-25(18)21(26)19(15-7-4-3-5-8-15)20(17)24-12-6-11-23-14-24/h3-13H,2,14H2,1H3
InChIKeyWYSNQVXJJFDUNG-UHFFFAOYSA-N
XLogP4.03
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Pyrido[1,2-a]pyrimidin-4-one, 2,3-diphenyl-
CID 12235379
5-[2-(3,5-Difluorophenyl)acetyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 3532229
5-[2-(3,5-Difluorophenyl)acetyl]-11-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 4092636
5-[2-(3,5-Difluorophenyl)acetyl]-14-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 4093692
2-(4-Fluorophenyl)-1-[3-(2-hydroxypyrimidin-4-YL)piperidin-1-YL]ethanone
CID 110115112
3-(4-fluoro-phenylethynyl)-7,8,9,10-tetrahydrocyclohepta[d]pyrido[1,2-a]pyrimidin-11(6H)-one
CID 53252015
5-[2-(4-Fluorophenyl)ethynyl]-2,8-diazatricyclo[8.6.0.03,8]hexadeca-1(10),2,4,6-tetraen-9-one
CID 53252016
12-Ethyl-5-(3-fluorophenyl)-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(10),2,4,6-tetraen-9-one
CID 69937598
12-Ethyl-5-(3-fluorophenyl)-2,8-diazatricyclo[8.6.0.03,8]hexadeca-1(10),2,4,6-tetraen-9-one
CID 69937599
5-(4-Fluorophenyl)-2,8-diazatricyclo[8.6.0.03,8]hexadeca-1(10),2,4,6-tetraen-9-one
CID 69937664
5-(3-Fluorophenyl)-12-methyl-2,8-diazatricyclo[8.6.0.03,8]hexadeca-1(10),2,4,6-tetraen-9-one
CID 69937794
12-Ethyl-5-[2-(4-fluorophenyl)ethynyl]-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(10),2,4,6-tetraen-9-one
CID 69937828

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one?
The IUPAC name of 1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one (CID 118627682) is 1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one.
What is the SMILES notation for 1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one?
The canonical SMILES for 1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one is CCc1c(N2C=CC=NC2)c(-c2ccccc2)c(=O)n2cc(F)ccc12.
What is the InChIKey of 1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one?
The InChIKey is WYSNQVXJJFDUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-2-17-18-10-9-16(22)13-25(18)21(26)19(15-7-4-3-5-8-15)20(17)24-12-6-11-23-14-24/h3-13H,2,14H2,1H3.
What are the key properties of 1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one?
1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one has a molecular weight of 347.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one is sourced from PubChem (CID 118627682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).