1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride

C13H17ClN2O — CID 3071386

IUPAC1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride
SMILESCCC1NCCc2c1[nH]c1ccc(O)cc21.Cl
InChIInChI=1S/C13H16N2O.ClH/c1-2-11-13-9(5-6-14-11)10-7-8(16)3-4-12(10)15-13;/h3-4,7,11,14-16H,2,5-6H2,1H3;1H
InChIKeyVNHMAUFLZFCXNT-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.89
Rot. Bonds1

About 1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride

1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride (PubChem CID 3071386) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride.

Molecular Properties

Compound Name1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride
PubChem CID3071386
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride
SMILESCCC1NCCc2c1[nH]c1ccc(O)cc21.Cl
InChIInChI=1S/C13H16N2O.ClH/c1-2-11-13-9(5-6-14-11)10-7-8(16)3-4-12(10)15-13;/h3-4,7,11,14-16H,2,5-6H2,1H3;1H
InChIKeyVNHMAUFLZFCXNT-UHFFFAOYSA-N
XLogP2.89
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;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 1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride?
The IUPAC name of 1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride (CID 3071386) is 1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride.
What is the SMILES notation for 1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride?
The canonical SMILES for 1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride is CCC1NCCc2c1[nH]c1ccc(O)cc21.Cl.
What is the InChIKey of 1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride?
The InChIKey is VNHMAUFLZFCXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.ClH/c1-2-11-13-9(5-6-14-11)10-7-8(16)3-4-12(10)15-13;/h3-4,7,11,14-16H,2,5-6H2,1H3;1H.
What are the key properties of 1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride?
1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 2.89, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride is sourced from PubChem (CID 3071386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).