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

C23H18N6O3 — CID 10741090

IUPAC1-(4-methoxyphenyl)-3-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nc3ccccc3n3c(=O)n(-c4ccccc4)nc23)cc1
InChIInChI=1S/C23H18N6O3/c1-32-17-13-11-15(12-14-17)24-22(30)26-20-21-27-29(16-7-3-2-4-8-16)23(31)28(21)19-10-6-5-9-18(19)25-20/h2-14H,1H3,(H2,24,25,26,30)
InChIKeyVDQCSFLDMCNJPQ-UHFFFAOYSA-N
MW426.44 g/mol
LogP3.69
Rot. Bonds4

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

1-(4-methoxyphenyl)-3-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)urea (PubChem CID 10741090) has the molecular formula C23H18N6O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)urea
PubChem CID10741090
Molecular FormulaC23H18N6O3
Molecular Weight426.44 g/mol
Exact Mass426.14
IUPAC Name1-(4-methoxyphenyl)-3-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nc3ccccc3n3c(=O)n(-c4ccccc4)nc23)cc1
InChIInChI=1S/C23H18N6O3/c1-32-17-13-11-15(12-14-17)24-22(30)26-20-21-27-29(16-7-3-2-4-8-16)23(31)28(21)19-10-6-5-9-18(19)25-20/h2-14H,1H3,(H2,24,25,26,30)
InChIKeyVDQCSFLDMCNJPQ-UHFFFAOYSA-N
XLogP3.69
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)urea (CID 10741090) is 1-(4-methoxyphenyl)-3-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)urea is COc1ccc(NC(=O)Nc2nc3ccccc3n3c(=O)n(-c4ccccc4)nc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)urea?
The InChIKey is VDQCSFLDMCNJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3/c1-32-17-13-11-15(12-14-17)24-22(30)26-20-21-27-29(16-7-3-2-4-8-16)23(31)28(21)19-10-6-5-9-18(19)25-20/h2-14H,1H3,(H2,24,25,26,30).
What are the key properties of 1-(4-methoxyphenyl)-3-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)urea?
1-(4-methoxyphenyl)-3-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)urea has a molecular weight of 426.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)urea is sourced from PubChem (CID 10741090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).