6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride

C11H14ClNO3 — CID 70503014

IUPAC6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride
SMILESCOc1ccc2c(c1)CCC(C(=O)O)N2.Cl
InChIInChI=1S/C11H13NO3.ClH/c1-15-8-3-5-9-7(6-8)2-4-10(12-9)11(13)14;/h3,5-6,10,12H,2,4H2,1H3,(H,13,14);1H
InChIKeyACJNIYDXIVOTQE-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.93
Rot. Bonds2

About 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride

6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride (PubChem CID 70503014) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride
PubChem CID70503014
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride
SMILESCOc1ccc2c(c1)CCC(C(=O)O)N2.Cl
InChIInChI=1S/C11H13NO3.ClH/c1-15-8-3-5-9-7(6-8)2-4-10(12-9)11(13)14;/h3,5-6,10,12H,2,4H2,1H3,(H,13,14);1H
InChIKeyACJNIYDXIVOTQE-UHFFFAOYSA-N
XLogP1.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84620843
(2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 11358808
(2S)-6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 97296326
6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494
6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84623821
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde
CID 140970249
5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 70908053
(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 131025344
2-(6-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanol
CID 105460503
5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 174490296
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 12827785

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride?
The IUPAC name of 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride (CID 70503014) is 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride?
The canonical SMILES for 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride is COc1ccc2c(c1)CCC(C(=O)O)N2.Cl.
What is the InChIKey of 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride?
The InChIKey is ACJNIYDXIVOTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3.ClH/c1-15-8-3-5-9-7(6-8)2-4-10(12-9)11(13)14;/h3,5-6,10,12H,2,4H2,1H3,(H,13,14);1H.
What are the key properties of 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride?
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride has a molecular weight of 243.69 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 70503014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).