9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one

C14H14N2O — CID 23358962

IUPAC9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one
SMILESCCn1c2cc(=O)ccc2c2cc[nH]c(C)c21
InChIInChI=1S/C14H14N2O/c1-3-16-13-8-10(17)4-5-11(13)12-6-7-15-9(2)14(12)16/h4-8,15H,3H2,1-2H3
InChIKeyDEIZFQJWRHNMJP-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.81
Rot. Bonds1

About 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one

9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one (PubChem CID 23358962) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one.

Molecular Properties

Compound Name9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one
PubChem CID23358962
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one
SMILESCCn1c2cc(=O)ccc2c2cc[nH]c(C)c21
InChIInChI=1S/C14H14N2O/c1-3-16-13-8-10(17)4-5-11(13)12-6-7-15-9(2)14(12)16/h4-8,15H,3H2,1-2H3
InChIKeyDEIZFQJWRHNMJP-UHFFFAOYSA-N
XLogP2.81
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one 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 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one?
The IUPAC name of 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one (CID 23358962) is 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one.
What is the SMILES notation for 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one?
The canonical SMILES for 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one is CCn1c2cc(=O)ccc2c2cc[nH]c(C)c21.
What is the InChIKey of 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one?
The InChIKey is DEIZFQJWRHNMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-16-13-8-10(17)4-5-11(13)12-6-7-15-9(2)14(12)16/h4-8,15H,3H2,1-2H3.
What are the key properties of 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one?
9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one has a molecular weight of 226.28 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one is sourced from PubChem (CID 23358962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).