2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one

C17H14F2N2O — CID 118627701

IUPAC2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one
SMILESNCCc1cc2ccc(F)cn2c(=O)c1-c1cccc(F)c1
InChIInChI=1S/C17H14F2N2O/c18-13-3-1-2-11(8-13)16-12(6-7-20)9-15-5-4-14(19)10-21(15)17(16)22/h1-5,8-10H,6-7,20H2
InChIKeyBETQIFYMLCDCIY-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.75
Rot. Bonds3

About 2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one

2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one (PubChem CID 118627701) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one
PubChem CID118627701
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one
SMILESNCCc1cc2ccc(F)cn2c(=O)c1-c1cccc(F)c1
InChIInChI=1S/C17H14F2N2O/c18-13-3-1-2-11(8-13)16-12(6-7-20)9-15-5-4-14(19)10-21(15)17(16)22/h1-5,8-10H,6-7,20H2
InChIKeyBETQIFYMLCDCIY-UHFFFAOYSA-N
XLogP2.75
TPSA47.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-7-fluoro-3-phenylquinolizin-4-one
CID 129262475
4-amino-6-[2-[7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118627674
2-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)ethyl carbamate
CID 129248923
2-[2-(3-fluorophenyl)phenyl]ethanamine;hydrochloride
CID 164885898
4-amino-6-[1-[7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118627726
7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one
CID 146421483
(S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide
CID 140786719
7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 122691061
[3-(3-fluorophenyl)indolizin-2-yl]methanol
CID 118572939
3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one
CID 115031918
2-[5-(3-fluorophenyl)-2-pyridinyl]ethanamine
CID 83704873
4-fluoro-3-(3-fluorophenyl)aniline
CID 46312186

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one?
The IUPAC name of 2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one (CID 118627701) is 2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one?
The canonical SMILES for 2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one is NCCc1cc2ccc(F)cn2c(=O)c1-c1cccc(F)c1.
What is the InChIKey of 2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one?
The InChIKey is BETQIFYMLCDCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O/c18-13-3-1-2-11(8-13)16-12(6-7-20)9-15-5-4-14(19)10-21(15)17(16)22/h1-5,8-10H,6-7,20H2.
What are the key properties of 2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one?
2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one has a molecular weight of 300.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one is sourced from PubChem (CID 118627701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).