1-(dimethoxymethyl)-9H-pyrido[3,4-b]indole

C14H14N2O2 — CID 44613855

IUPAC1-(dimethoxymethyl)-9H-pyrido[3,4-b]indole
SMILESCOC(OC)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H14N2O2/c1-17-14(18-2)13-12-10(7-8-15-13)9-5-3-4-6-11(9)16-12/h3-8,14,16H,1-2H3
InChIKeyGTZVZQWSFVEOTI-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.01
Rot. Bonds3

About 1-(dimethoxymethyl)-9H-pyrido[3,4-b]indole

1-(dimethoxymethyl)-9H-pyrido[3,4-b]indole (PubChem CID 44613855) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(dimethoxymethyl)-9H-pyrido[3,4-b]indole
PubChem CID44613855
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-(dimethoxymethyl)-9H-pyrido[3,4-b]indole
SMILESCOC(OC)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H14N2O2/c1-17-14(18-2)13-12-10(7-8-15-13)9-5-3-4-6-11(9)16-12/h3-8,14,16H,1-2H3
InChIKeyGTZVZQWSFVEOTI-UHFFFAOYSA-N
XLogP3.01
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(dimethoxymethyl)-9H-pyrido[3,4-b]indole (CID 44613855) is 1-(dimethoxymethyl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(dimethoxymethyl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(dimethoxymethyl)-9H-pyrido[3,4-b]indole is COC(OC)c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-(dimethoxymethyl)-9H-pyrido[3,4-b]indole?
The InChIKey is GTZVZQWSFVEOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-17-14(18-2)13-12-10(7-8-15-13)9-5-3-4-6-11(9)16-12/h3-8,14,16H,1-2H3.
What are the key properties of 1-(dimethoxymethyl)-9H-pyrido[3,4-b]indole?
1-(dimethoxymethyl)-9H-pyrido[3,4-b]indole has a molecular weight of 242.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 44613855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).