N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide

C23H17N5O3 — CID 11560605

IUPACN-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide
SMILESCOc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C23H17N5O3/c1-31-17-13-11-16(12-14-17)28-23(30)27-19-10-6-5-9-18(19)24-20(21(27)26-28)25-22(29)15-7-3-2-4-8-15/h2-14H,1H3,(H,24,25,29)
InChIKeyURGSNTSTFBCWKA-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.29
Rot. Bonds4

About N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide

N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide (PubChem CID 11560605) has the molecular formula C23H17N5O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide
PubChem CID11560605
Molecular FormulaC23H17N5O3
Molecular Weight411.42 g/mol
Exact Mass411.13
IUPAC NameN-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide
SMILESCOc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C23H17N5O3/c1-31-17-13-11-16(12-14-17)28-23(30)27-19-10-6-5-9-18(19)24-20(21(27)26-28)25-22(29)15-7-3-2-4-8-15/h2-14H,1H3,(H,24,25,29)
InChIKeyURGSNTSTFBCWKA-UHFFFAOYSA-N
XLogP3.29
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide (CID 11560605) is N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide is COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide?
The InChIKey is URGSNTSTFBCWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3/c1-31-17-13-11-16(12-14-17)28-23(30)27-19-10-6-5-9-18(19)24-20(21(27)26-28)25-22(29)15-7-3-2-4-8-15/h2-14H,1H3,(H,24,25,29).
What are the key properties of N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide?
N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide has a molecular weight of 411.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide is sourced from PubChem (CID 11560605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).