6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride

C13H15ClN2O3 — CID 140799634

IUPAC6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride
SMILESCOc1ccc2[nH]c3c(c2c1)C(C(=O)O)CNC3.Cl
InChIInChI=1S/C13H14N2O3.ClH/c1-18-7-2-3-10-8(4-7)12-9(13(16)17)5-14-6-11(12)15-10;/h2-4,9,14-15H,5-6H2,1H3,(H,16,17);1H
InChIKeyDQNBANXKZZMBEM-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.87
Rot. Bonds2

About 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride

6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride (PubChem CID 140799634) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride
PubChem CID140799634
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride
SMILESCOc1ccc2[nH]c3c(c2c1)C(C(=O)O)CNC3.Cl
InChIInChI=1S/C13H14N2O3.ClH/c1-18-7-2-3-10-8(4-7)12-9(13(16)17)5-14-6-11(12)15-10;/h2-4,9,14-15H,5-6H2,1H3,(H,16,17);1H
InChIKeyDQNBANXKZZMBEM-UHFFFAOYSA-N
XLogP1.87
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 84638532
6-methoxy-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol
CID 65333336
6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine
CID 65333211
6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65332552
6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 84638099
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
CID 83835601
2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid
CID 84728522
2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide
CID 10519156
ethyl 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 118868692
N-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 130265629
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
3-amino-6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115039979

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride?
The IUPAC name of 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride (CID 140799634) is 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride is COc1ccc2[nH]c3c(c2c1)C(C(=O)O)CNC3.Cl.
What is the InChIKey of 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride?
The InChIKey is DQNBANXKZZMBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3.ClH/c1-18-7-2-3-10-8(4-7)12-9(13(16)17)5-14-6-11(12)15-10;/h2-4,9,14-15H,5-6H2,1H3,(H,16,17);1H.
What are the key properties of 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride?
6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride has a molecular weight of 282.73 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 140799634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).