dimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane

C21H21AsN4 — CID 174915040

IUPACdimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane
SMILESC[As](C)CCc1ccc(-n2cc(-c3cnc4ccccc4c3)nn2)cc1
InChIInChI=1S/C21H21AsN4/c1-22(2)12-11-16-7-9-19(10-8-16)26-15-21(24-25-26)18-13-17-5-3-4-6-20(17)23-14-18/h3-10,13-15H,11-12H2,1-2H3
InChIKeyLFSWPUIGECYIOY-UHFFFAOYSA-N
MW404.35 g/mol
LogP4.78
Rot. Bonds5

About dimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane

dimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane (PubChem CID 174915040) has the molecular formula C21H21AsN4 and a molecular weight of 404.35 g/mol. Its IUPAC name is dimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane.

Molecular Properties

Compound Namedimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane
PubChem CID174915040
Molecular FormulaC21H21AsN4
Molecular Weight404.35 g/mol
Exact Mass404.10
IUPAC Namedimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane
SMILESC[As](C)CCc1ccc(-n2cc(-c3cnc4ccccc4c3)nn2)cc1
InChIInChI=1S/C21H21AsN4/c1-22(2)12-11-16-7-9-19(10-8-16)26-15-21(24-25-26)18-13-17-5-3-4-6-20(17)23-14-18/h3-10,13-15H,11-12H2,1-2H3
InChIKeyLFSWPUIGECYIOY-UHFFFAOYSA-N
XLogP4.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane?
The IUPAC name of dimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane (CID 174915040) is dimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane.
What is the SMILES notation for dimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane?
The canonical SMILES for dimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane is C[As](C)CCc1ccc(-n2cc(-c3cnc4ccccc4c3)nn2)cc1.
What is the InChIKey of dimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane?
The InChIKey is LFSWPUIGECYIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21AsN4/c1-22(2)12-11-16-7-9-19(10-8-16)26-15-21(24-25-26)18-13-17-5-3-4-6-20(17)23-14-18/h3-10,13-15H,11-12H2,1-2H3.
What are the key properties of dimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane?
dimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane has a molecular weight of 404.35 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane is sourced from PubChem (CID 174915040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).