2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride

C13H15ClN2O — CID 10083486

IUPAC2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride
SMILESCOC[N+]1=Cc2[nH]c3ccccc3c2CC1.[Cl-]
InChIInChI=1S/C13H14N2O.ClH/c1-16-9-15-7-6-11-10-4-2-3-5-12(10)14-13(11)8-15;/h2-5,8H,6-7,9H2,1H3;1H
InChIKeyUJQGENNMUADANT-UHFFFAOYSA-N
MW250.73 g/mol
LogP-1.24
Rot. Bonds2

About 2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride

2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride (PubChem CID 10083486) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride.

Molecular Properties

Compound Name2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride
PubChem CID10083486
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride
SMILESCOC[N+]1=Cc2[nH]c3ccccc3c2CC1.[Cl-]
InChIInChI=1S/C13H14N2O.ClH/c1-16-9-15-7-6-11-10-4-2-3-5-12(10)14-13(11)8-15;/h2-5,8H,6-7,9H2,1H3;1H
InChIKeyUJQGENNMUADANT-UHFFFAOYSA-N
XLogP-1.24
TPSA28.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride 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

2-prop-2-enyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium
CID 66560100
2-(4-bromophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium
CID 135060687
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
bis(9H-carbazole);propane
CID 90987002
2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 89161688
3-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 10511740
3-(1-phenylmethoxyethyl)-7,12-dihydro-6H-indolo[2,3-a]quinolizin-5-ium chloride
CID 11603520
carbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium
CID 59190013
(4-methoxyphenyl)-(3-methyl-2,6-dihydro-1H-azepino[4,5-b]indol-4-yl)methanone
CID 132990275
2,5-dihydro-1H-pyrido[4,3-b]indole
CID 68923227
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride?
The IUPAC name of 2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride (CID 10083486) is 2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride.
What is the SMILES notation for 2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride?
The canonical SMILES for 2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride is COC[N+]1=Cc2[nH]c3ccccc3c2CC1.[Cl-].
What is the InChIKey of 2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride?
The InChIKey is UJQGENNMUADANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.ClH/c1-16-9-15-7-6-11-10-4-2-3-5-12(10)14-13(11)8-15;/h2-5,8H,6-7,9H2,1H3;1H.
What are the key properties of 2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride?
2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride has a molecular weight of 250.73 g/mol, XLogP of -1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride is sourced from PubChem (CID 10083486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).