1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole

C14H14N2O — CID 5317256

IUPAC1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole
SMILESCCc1ncc(OC)c2c1[nH]c1ccccc12
InChIInChI=1S/C14H14N2O/c1-3-10-14-13(12(17-2)8-15-10)9-6-4-5-7-11(9)16-14/h4-8,16H,3H2,1-2H3
InChIKeyLWWRUTVIAQDHRE-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.29
Rot. Bonds2

About 1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole

1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole (PubChem CID 5317256) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole
PubChem CID5317256
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole
SMILESCCc1ncc(OC)c2c1[nH]c1ccccc12
InChIInChI=1S/C14H14N2O/c1-3-10-14-13(12(17-2)8-15-10)9-6-4-5-7-11(9)16-14/h4-8,16H,3H2,1-2H3
InChIKeyLWWRUTVIAQDHRE-UHFFFAOYSA-N
XLogP3.29
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-4-methoxy-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 1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole (CID 5317256) is 1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole is CCc1ncc(OC)c2c1[nH]c1ccccc12.
What is the InChIKey of 1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole?
The InChIKey is LWWRUTVIAQDHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-10-14-13(12(17-2)8-15-10)9-6-4-5-7-11(9)16-14/h4-8,16H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole?
1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole has a molecular weight of 226.28 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 5317256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).