2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine

C20H27N7O3S — CID 56575476

IUPAC2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine
SMILESCc1nc2c3ccccc3nc(N3CCN(S(=O)(=O)N4CC(C)OC(C)C4)CC3)n2n1
InChIInChI=1S/C20H27N7O3S/c1-14-12-26(13-15(2)30-14)31(28,29)25-10-8-24(9-11-25)20-22-18-7-5-4-6-17(18)19-21-16(3)23-27(19)20/h4-7,14-15H,8-13H2,1-3H3
InChIKeyHYKMRLYVZOFBGA-UHFFFAOYSA-N
MW445.55 g/mol
LogP1.06
Rot. Bonds3

About 2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine

2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine (PubChem CID 56575476) has the molecular formula C20H27N7O3S and a molecular weight of 445.55 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine
PubChem CID56575476
Molecular FormulaC20H27N7O3S
Molecular Weight445.55 g/mol
Exact Mass445.19
IUPAC Name2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine
SMILESCc1nc2c3ccccc3nc(N3CCN(S(=O)(=O)N4CC(C)OC(C)C4)CC3)n2n1
InChIInChI=1S/C20H27N7O3S/c1-14-12-26(13-15(2)30-14)31(28,29)25-10-8-24(9-11-25)20-22-18-7-5-4-6-17(18)19-21-16(3)23-27(19)20/h4-7,14-15H,8-13H2,1-3H3
InChIKeyHYKMRLYVZOFBGA-UHFFFAOYSA-N
XLogP1.06
TPSA96.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine (CID 56575476) is 2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine is Cc1nc2c3ccccc3nc(N3CCN(S(=O)(=O)N4CC(C)OC(C)C4)CC3)n2n1.
What is the InChIKey of 2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine?
The InChIKey is HYKMRLYVZOFBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O3S/c1-14-12-26(13-15(2)30-14)31(28,29)25-10-8-24(9-11-25)20-22-18-7-5-4-6-17(18)19-21-16(3)23-27(19)20/h4-7,14-15H,8-13H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine?
2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine has a molecular weight of 445.55 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 56575476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).