6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide

C20H31N3OSn — CID 177035431

IUPAC6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide
SMILESCCCC[Sn](CCC)(CCCC)c1ccc2nc(C(N)=O)cnc2c1
InChIInChI=1S/C9H6N3O.2C4H9.C3H7.Sn/c10-9(13)8-5-11-6-3-1-2-4-7(6)12-8;2*1-3-4-2;1-3-2;/h2-5H,(H2,10,13);2*1,3-4H2,2H3;1,3H2,2H3;
InChIKeyJRJLXDLFCNANDS-UHFFFAOYSA-N
MW448.20 g/mol
LogP4.39
Rot. Bonds10

About 6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide

6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide (PubChem CID 177035431) has the molecular formula C20H31N3OSn and a molecular weight of 448.20 g/mol. Its IUPAC name is 6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide
PubChem CID177035431
Molecular FormulaC20H31N3OSn
Molecular Weight448.20 g/mol
Exact Mass449.15
IUPAC Name6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide
SMILESCCCC[Sn](CCC)(CCCC)c1ccc2nc(C(N)=O)cnc2c1
InChIInChI=1S/C9H6N3O.2C4H9.C3H7.Sn/c10-9(13)8-5-11-6-3-1-2-4-7(6)12-8;2*1-3-4-2;1-3-2;/h2-5H,(H2,10,13);2*1,3-4H2,2H3;1,3H2,2H3;
InChIKeyJRJLXDLFCNANDS-UHFFFAOYSA-N
XLogP4.39
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.20
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide?
The IUPAC name of 6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide (CID 177035431) is 6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide.
What is the SMILES notation for 6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide?
The canonical SMILES for 6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide is CCCC[Sn](CCC)(CCCC)c1ccc2nc(C(N)=O)cnc2c1.
What is the InChIKey of 6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide?
The InChIKey is JRJLXDLFCNANDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N3O.2C4H9.C3H7.Sn/c10-9(13)8-5-11-6-3-1-2-4-7(6)12-8;2*1-3-4-2;1-3-2;/h2-5H,(H2,10,13);2*1,3-4H2,2H3;1,3H2,2H3;.
What are the key properties of 6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide?
6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide has a molecular weight of 448.20 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dibutyl(propyl)stannyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 177035431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).