2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide

C19H26N6O2 — CID 55729354

IUPAC2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1nnc2n(C)c(=O)c3cc(C)ccc3n12
InChIInChI=1S/C19H26N6O2/c1-6-24(11-17(26)20-12(2)3)10-16-21-22-19-23(5)18(27)14-9-13(4)7-8-15(14)25(16)19/h7-9,12H,6,10-11H2,1-5H3,(H,20,26)
InChIKeyZOLKDICHGRXOSI-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.24
Rot. Bonds6

About 2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide

2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide (PubChem CID 55729354) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide
PubChem CID55729354
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1nnc2n(C)c(=O)c3cc(C)ccc3n12
InChIInChI=1S/C19H26N6O2/c1-6-24(11-17(26)20-12(2)3)10-16-21-22-19-23(5)18(27)14-9-13(4)7-8-15(14)25(16)19/h7-9,12H,6,10-11H2,1-5H3,(H,20,26)
InChIKeyZOLKDICHGRXOSI-UHFFFAOYSA-N
XLogP1.24
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide (CID 55729354) is 2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1nnc2n(C)c(=O)c3cc(C)ccc3n12.
What is the InChIKey of 2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is ZOLKDICHGRXOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-6-24(11-17(26)20-12(2)3)10-16-21-22-19-23(5)18(27)14-9-13(4)7-8-15(14)25(16)19/h7-9,12H,6,10-11H2,1-5H3,(H,20,26).
What are the key properties of 2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide?
2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 370.46 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 55729354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).