1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;hydrochloride

C11H14ClNO2 — CID 122163982

IUPAC1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;hydrochloride
SMILESCN1CCC(C(=O)O)c2ccccc21.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-12-7-6-9(11(13)14)8-4-2-3-5-10(8)12;/h2-5,9H,6-7H2,1H3,(H,13,14);1H
InChIKeyYEFZXOZNVSWMPV-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.12
Rot. Bonds1

About 1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;hydrochloride

1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;hydrochloride (PubChem CID 122163982) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;hydrochloride
PubChem CID122163982
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;hydrochloride
SMILESCN1CCC(C(=O)O)c2ccccc21.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-12-7-6-9(11(13)14)8-4-2-3-5-10(8)12;/h2-5,9H,6-7H2,1H3,(H,13,14);1H
InChIKeyYEFZXOZNVSWMPV-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;hydrochloride (CID 122163982) is 1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;hydrochloride is CN1CCC(C(=O)O)c2ccccc21.Cl.
What is the InChIKey of 1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;hydrochloride?
The InChIKey is YEFZXOZNVSWMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-12-7-6-9(11(13)14)8-4-2-3-5-10(8)12;/h2-5,9H,6-7H2,1H3,(H,13,14);1H.
What are the key properties of 1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;hydrochloride?
1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 122163982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).