3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one

C18H21N7O2 — CID 166260055

IUPAC3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one
SMILESCN(C)CCn1cc(C(=O)N2CC(n3cnc4ccccc4c3=O)C2)nn1
InChIInChI=1S/C18H21N7O2/c1-22(2)7-8-24-11-16(20-21-24)18(27)23-9-13(10-23)25-12-19-15-6-4-3-5-14(15)17(25)26/h3-6,11-13H,7-10H2,1-2H3
InChIKeyBLIAKKQMYVZAFQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.25
Rot. Bonds5

About 3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one

3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one (PubChem CID 166260055) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one
PubChem CID166260055
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one
SMILESCN(C)CCn1cc(C(=O)N2CC(n3cnc4ccccc4c3=O)C2)nn1
InChIInChI=1S/C18H21N7O2/c1-22(2)7-8-24-11-16(20-21-24)18(27)23-9-13(10-23)25-12-19-15-6-4-3-5-14(15)17(25)26/h3-6,11-13H,7-10H2,1-2H3
InChIKeyBLIAKKQMYVZAFQ-UHFFFAOYSA-N
XLogP0.25
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one 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-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one?
The IUPAC name of 3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one (CID 166260055) is 3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one.
What is the SMILES notation for 3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one?
The canonical SMILES for 3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one is CN(C)CCn1cc(C(=O)N2CC(n3cnc4ccccc4c3=O)C2)nn1.
What is the InChIKey of 3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one?
The InChIKey is BLIAKKQMYVZAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-22(2)7-8-24-11-16(20-21-24)18(27)23-9-13(10-23)25-12-19-15-6-4-3-5-14(15)17(25)26/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one?
3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one has a molecular weight of 367.41 g/mol, XLogP of 0.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one is sourced from PubChem (CID 166260055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).