N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide

C18H23N5O2 — CID 53061615

IUPACN-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
SMILESCCCc1nnc2c(=O)n(CC(=O)NC(C)CC)c3ccccc3n12
InChIInChI=1S/C18H23N5O2/c1-4-8-15-20-21-17-18(25)22(11-16(24)19-12(3)5-2)13-9-6-7-10-14(13)23(15)17/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,19,24)
InChIKeySXPKUUIPSWBPGV-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.91
Rot. Bonds6

About N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide

N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide (PubChem CID 53061615) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
PubChem CID53061615
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
SMILESCCCc1nnc2c(=O)n(CC(=O)NC(C)CC)c3ccccc3n12
InChIInChI=1S/C18H23N5O2/c1-4-8-15-20-21-17-18(25)22(11-16(24)19-12(3)5-2)13-9-6-7-10-14(13)23(15)17/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,19,24)
InChIKeySXPKUUIPSWBPGV-UHFFFAOYSA-N
XLogP1.91
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide (CID 53061615) is N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide is CCCc1nnc2c(=O)n(CC(=O)NC(C)CC)c3ccccc3n12.
What is the InChIKey of N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
The InChIKey is SXPKUUIPSWBPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-4-8-15-20-21-17-18(25)22(11-16(24)19-12(3)5-2)13-9-6-7-10-14(13)23(15)17/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,19,24).
What are the key properties of N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide has a molecular weight of 341.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide is sourced from PubChem (CID 53061615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).