3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide

C26H30N6O3 — CID 16807350

IUPAC3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(Cn2c(=O)c3ccccc3n3c(CCC(=O)NCCN4CCOCC4)nnc23)cc1
InChIInChI=1S/C26H30N6O3/c1-19-6-8-20(9-7-19)18-31-25(34)21-4-2-3-5-22(21)32-23(28-29-26(31)32)10-11-24(33)27-12-13-30-14-16-35-17-15-30/h2-9H,10-18H2,1H3,(H,27,33)
InChIKeySXZBURKMWARTJZ-UHFFFAOYSA-N
MW474.57 g/mol
LogP1.78
Rot. Bonds8

About 3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide

3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 16807350) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID16807350
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(Cn2c(=O)c3ccccc3n3c(CCC(=O)NCCN4CCOCC4)nnc23)cc1
InChIInChI=1S/C26H30N6O3/c1-19-6-8-20(9-7-19)18-31-25(34)21-4-2-3-5-22(21)32-23(28-29-26(31)32)10-11-24(33)27-12-13-30-14-16-35-17-15-30/h2-9H,10-18H2,1H3,(H,27,33)
InChIKeySXZBURKMWARTJZ-UHFFFAOYSA-N
XLogP1.78
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 16807350) is 3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide is Cc1ccc(Cn2c(=O)c3ccccc3n3c(CCC(=O)NCCN4CCOCC4)nnc23)cc1.
What is the InChIKey of 3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is SXZBURKMWARTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-19-6-8-20(9-7-19)18-31-25(34)21-4-2-3-5-22(21)32-23(28-29-26(31)32)10-11-24(33)27-12-13-30-14-16-35-17-15-30/h2-9H,10-18H2,1H3,(H,27,33).
What are the key properties of 3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 474.57 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 16807350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).