6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one

C17H12N2O2Se — CID 122204055

IUPAC6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one
SMILESCOc1ccc2c(=O)n(-c3cccc4cccnc34)[se]c2c1
InChIInChI=1S/C17H12N2O2Se/c1-21-12-7-8-13-15(10-12)22-19(17(13)20)14-6-2-4-11-5-3-9-18-16(11)14/h2-10H,1H3
InChIKeyMUYCWHYEZNMZPO-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.60
Rot. Bonds2

About 6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one

6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one (PubChem CID 122204055) has the molecular formula C17H12N2O2Se and a molecular weight of 355.26 g/mol. Its IUPAC name is 6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one
PubChem CID122204055
Molecular FormulaC17H12N2O2Se
Molecular Weight355.26 g/mol
Exact Mass356.01
IUPAC Name6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one
SMILESCOc1ccc2c(=O)n(-c3cccc4cccnc34)[se]c2c1
InChIInChI=1S/C17H12N2O2Se/c1-21-12-7-8-13-15(10-12)22-19(17(13)20)14-6-2-4-11-5-3-9-18-16(11)14/h2-10H,1H3
InChIKeyMUYCWHYEZNMZPO-UHFFFAOYSA-N
XLogP2.60
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one
CID 122204061
2-(6-methoxyquinolin-8-yl)-1,2-benzoselenazole-3-thione
CID 88660659
(3E)-3-benzylidene-5-methoxy-2-quinolin-8-ylisoindol-1-one
CID 122382793
(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079735
2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one
CID 88621180
8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline
CID 1205496
2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 11778852
1-(6-methoxyquinolin-8-yl)pyrrolidine-2,5-dione
CID 608395
7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione
CID 170772816
3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569435
8-(4-methoxyphenyl)sulfanylquinoline
CID 177466194
11,12-di(quinolin-8-yl)indolo[2,3-a]carbazole
CID 58184810

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one?
The IUPAC name of 6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one (CID 122204055) is 6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one.
What is the SMILES notation for 6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one?
The canonical SMILES for 6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one is COc1ccc2c(=O)n(-c3cccc4cccnc34)[se]c2c1.
What is the InChIKey of 6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one?
The InChIKey is MUYCWHYEZNMZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2Se/c1-21-12-7-8-13-15(10-12)22-19(17(13)20)14-6-2-4-11-5-3-9-18-16(11)14/h2-10H,1H3.
What are the key properties of 6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one?
6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one has a molecular weight of 355.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one is sourced from PubChem (CID 122204055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).