methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride

C11H14ClNO2 — CID 2747398

IUPACmethyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CCc2ccccc2N1.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10;/h2-5,10,12H,6-7H2,1H3;1H
InChIKeyGZCFAFBVBOGXRN-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.01
Rot. Bonds1

About methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride

methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride (PubChem CID 2747398) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride
PubChem CID2747398
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namemethyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CCc2ccccc2N1.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10;/h2-5,10,12H,6-7H2,1H3;1H
InChIKeyGZCFAFBVBOGXRN-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride?
The IUPAC name of methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride (CID 2747398) is methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride is COC(=O)C1CCc2ccccc2N1.Cl.
What is the InChIKey of methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride?
The InChIKey is GZCFAFBVBOGXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10;/h2-5,10,12H,6-7H2,1H3;1H.
What are the key properties of methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride?
methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride is sourced from PubChem (CID 2747398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).