4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide

C24H24N6O3 — CID 122658869

IUPAC4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2nc(-c3cccc4[nH]ccc34)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C24H24N6O3/c1-29(2)22(31)16-6-8-17(9-7-16)33-24-27-21(19-4-3-5-20-18(19)10-11-25-20)26-23(28-24)30-12-14-32-15-13-30/h3-11,25H,12-15H2,1-2H3
InChIKeyWYKHRXOEYIXMOC-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.35
Rot. Bonds5

About 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide

4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide (PubChem CID 122658869) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
PubChem CID122658869
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2nc(-c3cccc4[nH]ccc34)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C24H24N6O3/c1-29(2)22(31)16-6-8-17(9-7-16)33-24-27-21(19-4-3-5-20-18(19)10-11-25-20)26-23(28-24)30-12-14-32-15-13-30/h3-11,25H,12-15H2,1-2H3
InChIKeyWYKHRXOEYIXMOC-UHFFFAOYSA-N
XLogP3.35
TPSA96.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide (CID 122658869) is 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Oc2nc(-c3cccc4[nH]ccc34)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide?
The InChIKey is WYKHRXOEYIXMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-29(2)22(31)16-6-8-17(9-7-16)33-24-27-21(19-4-3-5-20-18(19)10-11-25-20)26-23(28-24)30-12-14-32-15-13-30/h3-11,25H,12-15H2,1-2H3.
What are the key properties of 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide?
4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide has a molecular weight of 444.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 122658869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).