5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one

C17H12N2OSe — CID 122204061

IUPAC5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one
SMILESCc1ccc2[se]n(-c3cccc4cccnc34)c(=O)c2c1
InChIInChI=1S/C17H12N2OSe/c1-11-7-8-15-13(10-11)17(20)19(21-15)14-6-2-4-12-5-3-9-18-16(12)14/h2-10H,1H3
InChIKeyDJZOFSFBOWNBBT-UHFFFAOYSA-N
MW339.26 g/mol
LogP2.90
Rot. Bonds1

About 5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one

5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one (PubChem CID 122204061) has the molecular formula C17H12N2OSe and a molecular weight of 339.26 g/mol. Its IUPAC name is 5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one
PubChem CID122204061
Molecular FormulaC17H12N2OSe
Molecular Weight339.26 g/mol
Exact Mass340.01
IUPAC Name5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one
SMILESCc1ccc2[se]n(-c3cccc4cccnc34)c(=O)c2c1
InChIInChI=1S/C17H12N2OSe/c1-11-7-8-15-13(10-11)17(20)19(21-15)14-6-2-4-12-5-3-9-18-16(12)14/h2-10H,1H3
InChIKeyDJZOFSFBOWNBBT-UHFFFAOYSA-N
XLogP2.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one
CID 122204055
2-(2,5-dimethylphenyl)-1,2-benzoselenazol-3-one
CID 25181203
6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one
CID 141397233
1-methyl-5-quinolin-8-ylphenanthridin-6-one
CID 164682820
N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113111498
3,4-dimethyl-5-methylidene-1-quinolin-8-ylpyrrol-2-one
CID 141397224
2-(6-methoxyquinolin-8-yl)-1,2-benzoselenazole-3-thione
CID 88660659
8-(3-methyl-1,2,4-triazol-1-yl)quinoline
CID 166607439
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
2-(2,5-dimethylphenyl)-1,2-benzoselenazole-3-thione
CID 88621338
2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one
CID 13277178
(3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one
CID 102337270

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one?
The IUPAC name of 5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one (CID 122204061) is 5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one.
What is the SMILES notation for 5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one?
The canonical SMILES for 5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one is Cc1ccc2[se]n(-c3cccc4cccnc34)c(=O)c2c1.
What is the InChIKey of 5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one?
The InChIKey is DJZOFSFBOWNBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OSe/c1-11-7-8-15-13(10-11)17(20)19(21-15)14-6-2-4-12-5-3-9-18-16(12)14/h2-10H,1H3.
What are the key properties of 5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one?
5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one has a molecular weight of 339.26 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one is sourced from PubChem (CID 122204061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).