dimethylamino 2-(4H-quinolizin-3-yl)acetate

C13H16N2O2 — CID 118514455

IUPACdimethylamino 2-(4H-quinolizin-3-yl)acetate
SMILESCN(C)OC(=O)CC1=CC=C2C=CC=CN2C1
InChIInChI=1S/C13H16N2O2/c1-14(2)17-13(16)9-11-6-7-12-5-3-4-8-15(12)10-11/h3-8H,9-10H2,1-2H3
InChIKeyMOCVKEZYOVOVMG-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.61
Rot. Bonds3

About dimethylamino 2-(4H-quinolizin-3-yl)acetate

dimethylamino 2-(4H-quinolizin-3-yl)acetate (PubChem CID 118514455) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is dimethylamino 2-(4H-quinolizin-3-yl)acetate.

Molecular Properties

Compound Namedimethylamino 2-(4H-quinolizin-3-yl)acetate
PubChem CID118514455
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namedimethylamino 2-(4H-quinolizin-3-yl)acetate
SMILESCN(C)OC(=O)CC1=CC=C2C=CC=CN2C1
InChIInChI=1S/C13H16N2O2/c1-14(2)17-13(16)9-11-6-7-12-5-3-4-8-15(12)10-11/h3-8H,9-10H2,1-2H3
InChIKeyMOCVKEZYOVOVMG-UHFFFAOYSA-N
XLogP1.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylamino 2-(4H-quinolizin-3-yl)acetate?
The IUPAC name of dimethylamino 2-(4H-quinolizin-3-yl)acetate (CID 118514455) is dimethylamino 2-(4H-quinolizin-3-yl)acetate.
What is the SMILES notation for dimethylamino 2-(4H-quinolizin-3-yl)acetate?
The canonical SMILES for dimethylamino 2-(4H-quinolizin-3-yl)acetate is CN(C)OC(=O)CC1=CC=C2C=CC=CN2C1.
What is the InChIKey of dimethylamino 2-(4H-quinolizin-3-yl)acetate?
The InChIKey is MOCVKEZYOVOVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-14(2)17-13(16)9-11-6-7-12-5-3-4-8-15(12)10-11/h3-8H,9-10H2,1-2H3.
What are the key properties of dimethylamino 2-(4H-quinolizin-3-yl)acetate?
dimethylamino 2-(4H-quinolizin-3-yl)acetate has a molecular weight of 232.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino 2-(4H-quinolizin-3-yl)acetate is sourced from PubChem (CID 118514455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).