N-(5-phenylselanylquinolin-8-yl)benzamide

C22H16N2OSe — CID 132548337

IUPACN-(5-phenylselanylquinolin-8-yl)benzamide
SMILESO=C(Nc1ccc([Se]c2ccccc2)c2cccnc12)c1ccccc1
InChIInChI=1S/C22H16N2OSe/c25-22(16-8-3-1-4-9-16)24-19-13-14-20(18-12-7-15-23-21(18)19)26-17-10-5-2-6-11-17/h1-15H,(H,24,25)
InChIKeyNDPBJNXFXHJOTH-UHFFFAOYSA-N
MW403.34 g/mol
LogP3.14
Rot. Bonds4

About N-(5-phenylselanylquinolin-8-yl)benzamide

N-(5-phenylselanylquinolin-8-yl)benzamide (PubChem CID 132548337) has the molecular formula C22H16N2OSe and a molecular weight of 403.34 g/mol. Its IUPAC name is N-(5-phenylselanylquinolin-8-yl)benzamide.

Molecular Properties

Compound NameN-(5-phenylselanylquinolin-8-yl)benzamide
PubChem CID132548337
Molecular FormulaC22H16N2OSe
Molecular Weight403.34 g/mol
Exact Mass404.04
IUPAC NameN-(5-phenylselanylquinolin-8-yl)benzamide
SMILESO=C(Nc1ccc([Se]c2ccccc2)c2cccnc12)c1ccccc1
InChIInChI=1S/C22H16N2OSe/c25-22(16-8-3-1-4-9-16)24-19-13-14-20(18-12-7-15-23-21(18)19)26-17-10-5-2-6-11-17/h1-15H,(H,24,25)
InChIKeyNDPBJNXFXHJOTH-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(8-benzamidoquinolin-5-yl) propanoate
CID 132937572
N-(4-bromoquinolin-8-yl)benzamide
CID 163361667
N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide
CID 132603204
ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate
CID 132600265
N-(5-chloroquinolin-8-yl)-3-hydroxybenzamide
CID 115577672
5-phenylselanyl-1,10-phenanthroline
CID 138964900
[8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate
CID 177415031
(8-benzamido-6-methoxyquinolin-5-yl) acetate
CID 132937577
N-pyrimidin-2-ylbenzamide
CID 638481
4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide
CID 134850051
N-(8-aminoquinolin-5-yl)-4-iodobenzamide
CID 104826395
[8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate
CID 132937566

Frequently Asked Questions

What is the IUPAC name of N-(5-phenylselanylquinolin-8-yl)benzamide?
The IUPAC name of N-(5-phenylselanylquinolin-8-yl)benzamide (CID 132548337) is N-(5-phenylselanylquinolin-8-yl)benzamide.
What is the SMILES notation for N-(5-phenylselanylquinolin-8-yl)benzamide?
The canonical SMILES for N-(5-phenylselanylquinolin-8-yl)benzamide is O=C(Nc1ccc([Se]c2ccccc2)c2cccnc12)c1ccccc1.
What is the InChIKey of N-(5-phenylselanylquinolin-8-yl)benzamide?
The InChIKey is NDPBJNXFXHJOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2OSe/c25-22(16-8-3-1-4-9-16)24-19-13-14-20(18-12-7-15-23-21(18)19)26-17-10-5-2-6-11-17/h1-15H,(H,24,25).
What are the key properties of N-(5-phenylselanylquinolin-8-yl)benzamide?
N-(5-phenylselanylquinolin-8-yl)benzamide has a molecular weight of 403.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenylselanylquinolin-8-yl)benzamide is sourced from PubChem (CID 132548337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).