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

C12H13FN2O — CID 129262539

IUPAC2-[(1S)-1-aminoethyl]-7-fluoro-3-methylquinolizin-4-one
SMILESCc1c([C@H](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/t8-/m0/s1
InChIKeyUPVPKBWNKGUILK-QMMMGPOBSA-N
MW220.25 g/mol
LogP1.77
Rot. Bonds1

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

2-[(1S)-1-aminoethyl]-7-fluoro-3-methylquinolizin-4-one (PubChem CID 129262539) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-7-fluoro-3-methylquinolizin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-7-fluoro-3-methylquinolizin-4-one
PubChem CID129262539
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-[(1S)-1-aminoethyl]-7-fluoro-3-methylquinolizin-4-one
SMILESCc1c([C@H](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/t8-/m0/s1
InChIKeyUPVPKBWNKGUILK-QMMMGPOBSA-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-[(1S)-1-aminoethyl]-7-fluoro-3-methylquinolizin-4-one?
The IUPAC name of 2-[(1S)-1-aminoethyl]-7-fluoro-3-methylquinolizin-4-one (CID 129262539) is 2-[(1S)-1-aminoethyl]-7-fluoro-3-methylquinolizin-4-one.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-7-fluoro-3-methylquinolizin-4-one?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-7-fluoro-3-methylquinolizin-4-one is Cc1c([C@H](C)N)cc2ccc(F)cn2c1=O.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-7-fluoro-3-methylquinolizin-4-one?
The InChIKey is UPVPKBWNKGUILK-QMMMGPOBSA-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/t8-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-7-fluoro-3-methylquinolizin-4-one?
2-[(1S)-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-[(1S)-1-aminoethyl]-7-fluoro-3-methylquinolizin-4-one is sourced from PubChem (CID 129262539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).