propyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate

C20H17N3O2S2 — CID 71295982

IUPACpropyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate
SMILESCCCOC(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1
InChIInChI=1S/C20H17N3O2S2/c1-2-9-25-20(24)21-13-7-8-14-15(12-13)23-19(17-6-4-11-27-17)18(22-14)16-5-3-10-26-16/h3-8,10-12H,2,9H2,1H3,(H,21,24)
InChIKeyYGIVFZUQZXLBKM-UHFFFAOYSA-N
MW395.51 g/mol
LogP6.05
Rot. Bonds5

About propyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate

propyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate (PubChem CID 71295982) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is propyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate.

Molecular Properties

Compound Namepropyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate
PubChem CID71295982
Molecular FormulaC20H17N3O2S2
Molecular Weight395.51 g/mol
Exact Mass395.08
IUPAC Namepropyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate
SMILESCCCOC(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1
InChIInChI=1S/C20H17N3O2S2/c1-2-9-25-20(24)21-13-7-8-14-15(12-13)23-19(17-6-4-11-27-17)18(22-14)16-5-3-10-26-16/h3-8,10-12H,2,9H2,1H3,(H,21,24)
InChIKeyYGIVFZUQZXLBKM-UHFFFAOYSA-N
XLogP6.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate?
The IUPAC name of propyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate (CID 71295982) is propyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate.
What is the SMILES notation for propyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate?
The canonical SMILES for propyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate is CCCOC(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1.
What is the InChIKey of propyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate?
The InChIKey is YGIVFZUQZXLBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c1-2-9-25-20(24)21-13-7-8-14-15(12-13)23-19(17-6-4-11-27-17)18(22-14)16-5-3-10-26-16/h3-8,10-12H,2,9H2,1H3,(H,21,24).
What are the key properties of propyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate?
propyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate has a molecular weight of 395.51 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate is sourced from PubChem (CID 71295982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).