methyl 4H-quinolizine-3-carboxylate;hydrochloride

C11H12ClNO2 — CID 175937598

IUPACmethyl 4H-quinolizine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1=CC=C2C=CC=CN2C1.Cl
InChIInChI=1S/C11H11NO2.ClH/c1-14-11(13)9-5-6-10-4-2-3-7-12(10)8-9;/h2-7H,8H2,1H3;1H
InChIKeyWXIDNZCJCBSLJZ-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.79
Rot. Bonds1

About methyl 4H-quinolizine-3-carboxylate;hydrochloride

methyl 4H-quinolizine-3-carboxylate;hydrochloride (PubChem CID 175937598) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is methyl 4H-quinolizine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4H-quinolizine-3-carboxylate;hydrochloride
PubChem CID175937598
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Namemethyl 4H-quinolizine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1=CC=C2C=CC=CN2C1.Cl
InChIInChI=1S/C11H11NO2.ClH/c1-14-11(13)9-5-6-10-4-2-3-7-12(10)8-9;/h2-7H,8H2,1H3;1H
InChIKeyWXIDNZCJCBSLJZ-UHFFFAOYSA-N
XLogP1.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-phenyl-2H-pyridine-3-carboxylate
CID 141149522
dimethylamino 2-(4H-quinolizin-3-yl)acetate
CID 118514455
methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate
CID 175387361
ethane;methyl 4-methylcyclohexa-1,3-diene-1-carboxylate
CID 142945480
methyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate
CID 175363690
methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide
CID 173297533
dimethyl 1-methoxycyclohexa-3,5-diene-1,3-dicarboxylate
CID 20531473
methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
CID 3087494
diethyl 2H-pyridine-1,3-dicarboxylate
CID 150449718
methyl 4-(bromomethyl)cyclohexa-1,3-diene-1-carboxylate
CID 143221663
quinolizino[4,3-c]quinolizine
CID 53254646
methanesulfonic acid;methyl 1-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2H-pyridine-3-carboxylate
CID 159878196

Frequently Asked Questions

What is the IUPAC name of methyl 4H-quinolizine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 4H-quinolizine-3-carboxylate;hydrochloride (CID 175937598) is methyl 4H-quinolizine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4H-quinolizine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 4H-quinolizine-3-carboxylate;hydrochloride is COC(=O)C1=CC=C2C=CC=CN2C1.Cl.
What is the InChIKey of methyl 4H-quinolizine-3-carboxylate;hydrochloride?
The InChIKey is WXIDNZCJCBSLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.ClH/c1-14-11(13)9-5-6-10-4-2-3-7-12(10)8-9;/h2-7H,8H2,1H3;1H.
What are the key properties of methyl 4H-quinolizine-3-carboxylate;hydrochloride?
methyl 4H-quinolizine-3-carboxylate;hydrochloride has a molecular weight of 225.68 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4H-quinolizine-3-carboxylate;hydrochloride is sourced from PubChem (CID 175937598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).