methyl 4H-quinolizine-2-carboxylate

C11H11NO2 — CID 87368522

IUPACmethyl 4H-quinolizine-2-carboxylate
SMILESCOC(=O)C1=CCN2C=CC=CC2=C1
InChIInChI=1S/C11H11NO2/c1-14-11(13)9-5-7-12-6-3-2-4-10(12)8-9/h2-6,8H,7H2,1H3
InChIKeyZQZRJUCDPAREMD-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.37
Rot. Bonds1

About methyl 4H-quinolizine-2-carboxylate

methyl 4H-quinolizine-2-carboxylate (PubChem CID 87368522) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 4H-quinolizine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4H-quinolizine-2-carboxylate
PubChem CID87368522
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethyl 4H-quinolizine-2-carboxylate
SMILESCOC(=O)C1=CCN2C=CC=CC2=C1
InChIInChI=1S/C11H11NO2/c1-14-11(13)9-5-7-12-6-3-2-4-10(12)8-9/h2-6,8H,7H2,1H3
InChIKeyZQZRJUCDPAREMD-UHFFFAOYSA-N
XLogP1.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4H-quinolizine-2-carboxylate?
The IUPAC name of methyl 4H-quinolizine-2-carboxylate (CID 87368522) is methyl 4H-quinolizine-2-carboxylate.
What is the SMILES notation for methyl 4H-quinolizine-2-carboxylate?
The canonical SMILES for methyl 4H-quinolizine-2-carboxylate is COC(=O)C1=CCN2C=CC=CC2=C1.
What is the InChIKey of methyl 4H-quinolizine-2-carboxylate?
The InChIKey is ZQZRJUCDPAREMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-11(13)9-5-7-12-6-3-2-4-10(12)8-9/h2-6,8H,7H2,1H3.
What are the key properties of methyl 4H-quinolizine-2-carboxylate?
methyl 4H-quinolizine-2-carboxylate has a molecular weight of 189.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4H-quinolizine-2-carboxylate is sourced from PubChem (CID 87368522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).