2-(1-aminoethyl)-7-fluoro-3-methylquinolizin-4-one

C12H13FN2O — CID 129248762

IUPAC2-(1-aminoethyl)-7-fluoro-3-methylquinolizin-4-one
SMILESCc1c(C(C)N)cc2ccc(F)cn2c1=O
InChIInChI=1S/C12H13FN2O/c1-7-11(8(2)14)5-10-4-3-9(13)6-15(10)12(7)16/h3-6,8H,14H2,1-2H3
InChIKeyUPVPKBWNKGUILK-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.77
Rot. Bonds1

About 2-(1-aminoethyl)-7-fluoro-3-methylquinolizin-4-one

2-(1-aminoethyl)-7-fluoro-3-methylquinolizin-4-one (PubChem CID 129248762) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(1-aminoethyl)-7-fluoro-3-methylquinolizin-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-7-fluoro-3-methylquinolizin-4-one
PubChem CID129248762
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-(1-aminoethyl)-7-fluoro-3-methylquinolizin-4-one
SMILESCc1c(C(C)N)cc2ccc(F)cn2c1=O
InChIInChI=1S/C12H13FN2O/c1-7-11(8(2)14)5-10-4-3-9(13)6-15(10)12(7)16/h3-6,8H,14H2,1-2H3
InChIKeyUPVPKBWNKGUILK-UHFFFAOYSA-N
XLogP1.77
TPSA47.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-7-fluoro-3-methylquinolizin-4-one?
The IUPAC name of 2-(1-aminoethyl)-7-fluoro-3-methylquinolizin-4-one (CID 129248762) is 2-(1-aminoethyl)-7-fluoro-3-methylquinolizin-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-7-fluoro-3-methylquinolizin-4-one?
The canonical SMILES for 2-(1-aminoethyl)-7-fluoro-3-methylquinolizin-4-one is Cc1c(C(C)N)cc2ccc(F)cn2c1=O.
What is the InChIKey of 2-(1-aminoethyl)-7-fluoro-3-methylquinolizin-4-one?
The InChIKey is UPVPKBWNKGUILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-7-11(8(2)14)5-10-4-3-9(13)6-15(10)12(7)16/h3-6,8H,14H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-7-fluoro-3-methylquinolizin-4-one?
2-(1-aminoethyl)-7-fluoro-3-methylquinolizin-4-one has a molecular weight of 220.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-7-fluoro-3-methylquinolizin-4-one is sourced from PubChem (CID 129248762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).