1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline

C23H18N4O — CID 141464565

IUPAC1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOc1cccc(-c2nnc3c(-c4ccccc4)nc4ccc(C)cc4n23)c1
InChIInChI=1S/C23H18N4O/c1-15-11-12-19-20(13-15)27-22(17-9-6-10-18(14-17)28-2)25-26-23(27)21(24-19)16-7-4-3-5-8-16/h3-14H,1-2H3
InChIKeyMBKCSAPVFVHNJJ-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.93
Rot. Bonds3

About 1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline

1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 141464565) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID141464565
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOc1cccc(-c2nnc3c(-c4ccccc4)nc4ccc(C)cc4n23)c1
InChIInChI=1S/C23H18N4O/c1-15-11-12-19-20(13-15)27-22(17-9-6-10-18(14-17)28-2)25-26-23(27)21(24-19)16-7-4-3-5-8-16/h3-14H,1-2H3
InChIKeyMBKCSAPVFVHNJJ-UHFFFAOYSA-N
XLogP4.93
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 46063348
N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864602
9-methoxy-2-methyl-6-phenylphenanthridine
CID 50902217
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864468
1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 11580142
6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 56958029
6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 110171513
6-methoxy-3-methyl-2-phenylquinoxaline
CID 15500862
8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 70501466
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine
CID 158755731

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 141464565) is 1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline is COc1cccc(-c2nnc3c(-c4ccccc4)nc4ccc(C)cc4n23)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is MBKCSAPVFVHNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-15-11-12-19-20(13-15)27-22(17-9-6-10-18(14-17)28-2)25-26-23(27)21(24-19)16-7-4-3-5-8-16/h3-14H,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline?
1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 366.42 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 141464565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).