2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole

C18H11N3O2S — CID 166203216

IUPAC2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc2nc(-c3nccs3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C18H11N3O2S/c22-21(23)13-6-7-16-15(10-13)14(12-4-2-1-3-5-12)11-17(20-16)18-19-8-9-24-18/h1-11H
InChIKeyCOJGNJYNXACWEO-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.93
Rot. Bonds3

About 2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole

2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole (PubChem CID 166203216) has the molecular formula C18H11N3O2S and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole
PubChem CID166203216
Molecular FormulaC18H11N3O2S
Molecular Weight333.37 g/mol
Exact Mass333.06
IUPAC Name2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc2nc(-c3nccs3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C18H11N3O2S/c22-21(23)13-6-7-16-15(10-13)14(12-4-2-1-3-5-12)11-17(20-16)18-19-8-9-24-18/h1-11H
InChIKeyCOJGNJYNXACWEO-UHFFFAOYSA-N
XLogP4.93
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
2-chloro-6-nitro-4-phenylquinoline
CID 21488599
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059
2-(6-nitro-4-phenylquinolin-2-yl)benzene-1,4-diol;hydrochloride
CID 135882421
2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 4879276
6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline
CID 10363212
2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole
CID 10332908
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-nitrophenyl)-4-phenylquinoline-6-carboxylate
CID 126024991
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
2-[6-methyl-2-(4-nitrophenyl)quinolin-4-yl]aniline
CID 155387923
2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole
CID 169336469
6-nitro-3-phenyl-1,2,4-benzotriazine
CID 71332130

Frequently Asked Questions

What is the IUPAC name of 2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole?
The IUPAC name of 2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole (CID 166203216) is 2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole is O=[N+]([O-])c1ccc2nc(-c3nccs3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole?
The InChIKey is COJGNJYNXACWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O2S/c22-21(23)13-6-7-16-15(10-13)14(12-4-2-1-3-5-12)11-17(20-16)18-19-8-9-24-18/h1-11H.
What are the key properties of 2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole?
2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole has a molecular weight of 333.37 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole is sourced from PubChem (CID 166203216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).