iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole

C14H15IN2O — CID 25113429

IUPACiodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
SMILESCI.COc1ccc2c(c1)[nH]c1c(C)nccc12
InChIInChI=1S/C13H12N2O.CH3I/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;1-2/h3-7,15H,1-2H3;1H3
InChIKeyYVRMAEPTYDRNPF-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.08
Rot. Bonds1

About iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole

iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole (PubChem CID 25113429) has the molecular formula C14H15IN2O and a molecular weight of 354.19 g/mol. Its IUPAC name is iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Nameiodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
PubChem CID25113429
Molecular FormulaC14H15IN2O
Molecular Weight354.19 g/mol
Exact Mass354.02
IUPAC Nameiodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
SMILESCI.COc1ccc2c(c1)[nH]c1c(C)nccc12
InChIInChI=1S/C13H12N2O.CH3I/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;1-2/h3-7,15H,1-2H3;1H3
InChIKeyYVRMAEPTYDRNPF-UHFFFAOYSA-N
XLogP4.08
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole 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 iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole?
The IUPAC name of iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole (CID 25113429) is iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole is CI.COc1ccc2c(c1)[nH]c1c(C)nccc12.
What is the InChIKey of iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole?
The InChIKey is YVRMAEPTYDRNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.CH3I/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;1-2/h3-7,15H,1-2H3;1H3.
What are the key properties of iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole?
iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole has a molecular weight of 354.19 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 25113429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).