2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide

C23H33N5O2 — CID 659480

IUPAC2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide
SMILESCCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NCCCOC
InChIInChI=1S/C23H33N5O2/c1-4-6-14-28(15-7-5-2)22-21(26-19-11-8-9-12-20(19)27-22)18(17-24)23(29)25-13-10-16-30-3/h8-9,11-12,18H,4-7,10,13-16H2,1-3H3,(H,25,29)
InChIKeyYNKXIWSRADWZGE-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.80
Rot. Bonds13

About 2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide

2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 659480) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide
PubChem CID659480
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide
SMILESCCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NCCCOC
InChIInChI=1S/C23H33N5O2/c1-4-6-14-28(15-7-5-2)22-21(26-19-11-8-9-12-20(19)27-22)18(17-24)23(29)25-13-10-16-30-3/h8-9,11-12,18H,4-7,10,13-16H2,1-3H3,(H,25,29)
InChIKeyYNKXIWSRADWZGE-UHFFFAOYSA-N
XLogP3.80
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide (CID 659480) is 2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide is CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NCCCOC.
What is the InChIKey of 2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is YNKXIWSRADWZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-4-6-14-28(15-7-5-2)22-21(26-19-11-8-9-12-20(19)27-22)18(17-24)23(29)25-13-10-16-30-3/h8-9,11-12,18H,4-7,10,13-16H2,1-3H3,(H,25,29).
What are the key properties of 2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide?
2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 411.55 g/mol, XLogP of 3.80, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 659480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).