2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride

C14H17ClN2O3 — CID 68503498

IUPAC2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride
SMILESCOC1Cc2c(c3ccccc3n2CC(=O)O)CN1.Cl
InChIInChI=1S/C14H16N2O3.ClH/c1-19-13-6-12-10(7-15-13)9-4-2-3-5-11(9)16(12)8-14(17)18;/h2-5,13,15H,6-8H2,1H3,(H,17,18);1H
InChIKeyNJADOXZTHPQMSQ-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.77
Rot. Bonds3

About 2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride

2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride (PubChem CID 68503498) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride
PubChem CID68503498
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride
SMILESCOC1Cc2c(c3ccccc3n2CC(=O)O)CN1.Cl
InChIInChI=1S/C14H16N2O3.ClH/c1-19-13-6-12-10(7-15-13)9-4-2-3-5-11(9)16(12)8-14(17)18;/h2-5,13,15H,6-8H2,1H3,(H,17,18);1H
InChIKeyNJADOXZTHPQMSQ-UHFFFAOYSA-N
XLogP1.77
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic 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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride (CID 68503498) is 2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride is COC1Cc2c(c3ccccc3n2CC(=O)O)CN1.Cl.
What is the InChIKey of 2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride?
The InChIKey is NJADOXZTHPQMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3.ClH/c1-19-13-6-12-10(7-15-13)9-4-2-3-5-11(9)16(12)8-14(17)18;/h2-5,13,15H,6-8H2,1H3,(H,17,18);1H.
What are the key properties of 2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride?
2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride has a molecular weight of 296.75 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride is sourced from PubChem (CID 68503498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).