[1-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone

C24H19N5O — CID 46946082

IUPAC[1-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone
SMILESCN(C)c1ccc(-c2nnc3c(C(=O)c4ccccc4)nc4ccccc4n23)cc1
InChIInChI=1S/C24H19N5O/c1-28(2)18-14-12-17(13-15-18)23-26-27-24-21(22(30)16-8-4-3-5-9-16)25-19-10-6-7-11-20(19)29(23)24/h3-15H,1-2H3
InChIKeyJWLXTDYEUKLSEJ-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.24
Rot. Bonds4

About [1-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone

[1-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone (PubChem CID 46946082) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is [1-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone
PubChem CID46946082
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name[1-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone
SMILESCN(C)c1ccc(-c2nnc3c(C(=O)c4ccccc4)nc4ccccc4n23)cc1
InChIInChI=1S/C24H19N5O/c1-28(2)18-14-12-17(13-15-18)23-26-27-24-21(22(30)16-8-4-3-5-9-16)25-19-10-6-7-11-20(19)29(23)24/h3-15H,1-2H3
InChIKeyJWLXTDYEUKLSEJ-UHFFFAOYSA-N
XLogP4.24
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone?
The IUPAC name of [1-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone (CID 46946082) is [1-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone is CN(C)c1ccc(-c2nnc3c(C(=O)c4ccccc4)nc4ccccc4n23)cc1.
What is the InChIKey of [1-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone?
The InChIKey is JWLXTDYEUKLSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-28(2)18-14-12-17(13-15-18)23-26-27-24-21(22(30)16-8-4-3-5-9-16)25-19-10-6-7-11-20(19)29(23)24/h3-15H,1-2H3.
What are the key properties of [1-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone?
[1-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone has a molecular weight of 393.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone is sourced from PubChem (CID 46946082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).