7-methyl-9-(methylaminomethyl)-6,7,8,9-tetrahydroquinolizin-4-one

C12H18N2O — CID 77428145

IUPAC7-methyl-9-(methylaminomethyl)-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCNCC1CC(C)Cn2c1cccc2=O
InChIInChI=1S/C12H18N2O/c1-9-6-10(7-13-2)11-4-3-5-12(15)14(11)8-9/h3-5,9-10,13H,6-8H2,1-2H3
InChIKeyCCRVDTDLJPQCFE-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.19
Rot. Bonds2

About 7-methyl-9-(methylaminomethyl)-6,7,8,9-tetrahydroquinolizin-4-one

7-methyl-9-(methylaminomethyl)-6,7,8,9-tetrahydroquinolizin-4-one (PubChem CID 77428145) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 7-methyl-9-(methylaminomethyl)-6,7,8,9-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name7-methyl-9-(methylaminomethyl)-6,7,8,9-tetrahydroquinolizin-4-one
PubChem CID77428145
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name7-methyl-9-(methylaminomethyl)-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCNCC1CC(C)Cn2c1cccc2=O
InChIInChI=1S/C12H18N2O/c1-9-6-10(7-13-2)11-4-3-5-12(15)14(11)8-9/h3-5,9-10,13H,6-8H2,1-2H3
InChIKeyCCRVDTDLJPQCFE-UHFFFAOYSA-N
XLogP1.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-(methylaminomethyl)-6,7,8,9-tetrahydroquinolizin-4-one?
The IUPAC name of 7-methyl-9-(methylaminomethyl)-6,7,8,9-tetrahydroquinolizin-4-one (CID 77428145) is 7-methyl-9-(methylaminomethyl)-6,7,8,9-tetrahydroquinolizin-4-one.
What is the SMILES notation for 7-methyl-9-(methylaminomethyl)-6,7,8,9-tetrahydroquinolizin-4-one?
The canonical SMILES for 7-methyl-9-(methylaminomethyl)-6,7,8,9-tetrahydroquinolizin-4-one is CNCC1CC(C)Cn2c1cccc2=O.
What is the InChIKey of 7-methyl-9-(methylaminomethyl)-6,7,8,9-tetrahydroquinolizin-4-one?
The InChIKey is CCRVDTDLJPQCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-6-10(7-13-2)11-4-3-5-12(15)14(11)8-9/h3-5,9-10,13H,6-8H2,1-2H3.
What are the key properties of 7-methyl-9-(methylaminomethyl)-6,7,8,9-tetrahydroquinolizin-4-one?
7-methyl-9-(methylaminomethyl)-6,7,8,9-tetrahydroquinolizin-4-one has a molecular weight of 206.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-(methylaminomethyl)-6,7,8,9-tetrahydroquinolizin-4-one is sourced from PubChem (CID 77428145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).