6-acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one

C12H16N2O2 — CID 54274885

IUPAC6-acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCNc1ccc2n(c1=O)C(C(C)=O)CCC2
InChIInChI=1S/C12H16N2O2/c1-8(15)11-5-3-4-9-6-7-10(13-2)12(16)14(9)11/h6-7,11,13H,3-5H2,1-2H3
InChIKeyRMSNTCHLBVUHPL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.36
Rot. Bonds2

About 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one

6-acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one (PubChem CID 54274885) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name6-acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one
PubChem CID54274885
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCNc1ccc2n(c1=O)C(C(C)=O)CCC2
InChIInChI=1S/C12H16N2O2/c1-8(15)11-5-3-4-9-6-7-10(13-2)12(16)14(9)11/h6-7,11,13H,3-5H2,1-2H3
InChIKeyRMSNTCHLBVUHPL-UHFFFAOYSA-N
XLogP1.36
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one?
The IUPAC name of 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one (CID 54274885) is 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one.
What is the SMILES notation for 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one?
The canonical SMILES for 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one is CNc1ccc2n(c1=O)C(C(C)=O)CCC2.
What is the InChIKey of 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one?
The InChIKey is RMSNTCHLBVUHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(15)11-5-3-4-9-6-7-10(13-2)12(16)14(9)11/h6-7,11,13H,3-5H2,1-2H3.
What are the key properties of 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one?
6-acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one has a molecular weight of 220.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one is sourced from PubChem (CID 54274885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).