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

C18H15N5O3 — CID 11602711

IUPACN-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide
SMILESCOc1ccc(-n2nc3c(NC(C)=O)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C18H15N5O3/c1-11(24)19-16-17-21-23(12-7-9-13(26-2)10-8-12)18(25)22(17)15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,19,20,24)
InChIKeyDHZCLDQSLBMBBL-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.00
Rot. Bonds3

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

N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide (PubChem CID 11602711) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide
PubChem CID11602711
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC NameN-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide
SMILESCOc1ccc(-n2nc3c(NC(C)=O)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C18H15N5O3/c1-11(24)19-16-17-21-23(12-7-9-13(26-2)10-8-12)18(25)22(17)15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,19,20,24)
InChIKeyDHZCLDQSLBMBBL-UHFFFAOYSA-N
XLogP2.00
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-Amino-4-benzamido-1,2-dihydro-2-(4-methoxyphenyl)-1,2,4-triazolo[4,3-a]quinoxalin-1-one
CID 11524705
N-(8-aminooctyl)-N'-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butanediamide
CID 57325782
2-(4-Hydroxy-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
CID 10040075
2-(4-Methoxy-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
CID 10040914
4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one
CID 10709852
1-(4-Methoxy-phenyl)-3-(1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-urea
CID 10741090
2-(4-Ethoxy-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
CID 11163042
[4-(1,4-dioxo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)phenyl] acetate
CID 11163483
4-Amino-2-(4-ethoxy-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 11244144
6-Amino-2-(4-methoxy-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
CID 11267262
4,6-Diamino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 11290216
4-Amino-2-(4-hydroxy-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 11335341

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]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide (CID 11602711) is N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide is COc1ccc(-n2nc3c(NC(C)=O)nc4ccccc4n3c2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide?
The InChIKey is DHZCLDQSLBMBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-11(24)19-16-17-21-23(12-7-9-13(26-2)10-8-12)18(25)22(17)15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,19,20,24).
What are the key properties of N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide?
N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide has a molecular weight of 349.35 g/mol, XLogP of 2.00, 3 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]acetamide is sourced from PubChem (CID 11602711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).