methyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate

C13H16N2O2 — CID 54072513

IUPACmethyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate
SMILESCNC(C(=O)OC)C1=CC2=CC=CCN2C=C1
InChIInChI=1S/C13H16N2O2/c1-14-12(13(16)17-2)10-6-8-15-7-4-3-5-11(15)9-10/h3-6,8-9,12,14H,7H2,1-2H3
InChIKeyMHKYUUKMRDYIQJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.96
Rot. Bonds3

About methyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate

methyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate (PubChem CID 54072513) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate
PubChem CID54072513
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namemethyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate
SMILESCNC(C(=O)OC)C1=CC2=CC=CCN2C=C1
InChIInChI=1S/C13H16N2O2/c1-14-12(13(16)17-2)10-6-8-15-7-4-3-5-11(15)9-10/h3-6,8-9,12,14H,7H2,1-2H3
InChIKeyMHKYUUKMRDYIQJ-UHFFFAOYSA-N
XLogP0.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate?
The IUPAC name of methyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate (CID 54072513) is methyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate.
What is the SMILES notation for methyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate?
The canonical SMILES for methyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate is CNC(C(=O)OC)C1=CC2=CC=CCN2C=C1.
What is the InChIKey of methyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate?
The InChIKey is MHKYUUKMRDYIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-14-12(13(16)17-2)10-6-8-15-7-4-3-5-11(15)9-10/h3-6,8-9,12,14H,7H2,1-2H3.
What are the key properties of methyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate?
methyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate has a molecular weight of 232.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate is sourced from PubChem (CID 54072513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).