9-methylselenadiazolo[4,5-b]quinoline

C10H7N3Se — CID 11557837

IUPAC9-methylselenadiazolo[4,5-b]quinoline
SMILESCc1c2ccccc2nc2nn[se]c12
InChIInChI=1S/C10H7N3Se/c1-6-7-4-2-3-5-8(7)11-10-9(6)14-13-12-10/h2-5H,1H3
InChIKeyCBUVIQMIFHFRHC-UHFFFAOYSA-N
MW248.15 g/mol
LogP1.54
Rot. Bonds

About 9-methylselenadiazolo[4,5-b]quinoline

9-methylselenadiazolo[4,5-b]quinoline (PubChem CID 11557837) has the molecular formula C10H7N3Se and a molecular weight of 248.15 g/mol. Its IUPAC name is 9-methylselenadiazolo[4,5-b]quinoline.

Molecular Properties

Compound Name9-methylselenadiazolo[4,5-b]quinoline
PubChem CID11557837
Molecular FormulaC10H7N3Se
Molecular Weight248.15 g/mol
Exact Mass248.98
IUPAC Name9-methylselenadiazolo[4,5-b]quinoline
SMILESCc1c2ccccc2nc2nn[se]c12
InChIInChI=1S/C10H7N3Se/c1-6-7-4-2-3-5-8(7)11-10-9(6)14-13-12-10/h2-5H,1H3
InChIKeyCBUVIQMIFHFRHC-UHFFFAOYSA-N
XLogP1.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-methylselenadiazolo[4,5-b]quinoline 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

3,4,9-trimethylacridine
CID 58813802
azane;3,4-dimethylcinnoline
CID 174582634
(4-methylphenyl)mercury(1+);5-methylpyrimido[4,5-b]quinoline-2-thiolate
CID 15968632
20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene
CID 50907804
(2E,3Z)-2,3-di(ethylidene)-4-methylquinoline;ethane
CID 143448239
1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane
CID 157427941
2,3-dimethylquinoline-4-carbothioamide
CID 13245257
(2-chloro-4-methylquinolin-3-yl)boronic acid
CID 22091752
1-(3-hydroxy-4-methylquinolin-2-yl)ethanone
CID 134989412
3,4-dimethylacridin-9-amine
CID 141072687
1,1'-biphenyl;1,2-dimethylacridine
CID 175084711
N-(2-methylphenyl)phenanthridin-6-amine
CID 3100304

Frequently Asked Questions

What is the IUPAC name of 9-methylselenadiazolo[4,5-b]quinoline?
The IUPAC name of 9-methylselenadiazolo[4,5-b]quinoline (CID 11557837) is 9-methylselenadiazolo[4,5-b]quinoline.
What is the SMILES notation for 9-methylselenadiazolo[4,5-b]quinoline?
The canonical SMILES for 9-methylselenadiazolo[4,5-b]quinoline is Cc1c2ccccc2nc2nn[se]c12.
What is the InChIKey of 9-methylselenadiazolo[4,5-b]quinoline?
The InChIKey is CBUVIQMIFHFRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3Se/c1-6-7-4-2-3-5-8(7)11-10-9(6)14-13-12-10/h2-5H,1H3.
What are the key properties of 9-methylselenadiazolo[4,5-b]quinoline?
9-methylselenadiazolo[4,5-b]quinoline has a molecular weight of 248.15 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylselenadiazolo[4,5-b]quinoline is sourced from PubChem (CID 11557837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).