2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride

C14H20ClN3O2 — CID 18527695

IUPAC2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride
SMILESCCn1c(=O)c2ccccc2n(CC[NH+](C)C)c1=O.[Cl-]
InChIInChI=1S/C14H19N3O2.ClH/c1-4-16-13(18)11-7-5-6-8-12(11)17(14(16)19)10-9-15(2)3;/h5-8H,4,9-10H2,1-3H3;1H
InChIKeyIQGHWAWHCJGYNB-UHFFFAOYSA-N
MW297.79 g/mol
LogP-3.67
Rot. Bonds4

About 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride (PubChem CID 18527695) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride
PubChem CID18527695
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride
SMILESCCn1c(=O)c2ccccc2n(CC[NH+](C)C)c1=O.[Cl-]
InChIInChI=1S/C14H19N3O2.ClH/c1-4-16-13(18)11-7-5-6-8-12(11)17(14(16)19)10-9-15(2)3;/h5-8H,4,9-10H2,1-3H3;1H
InChIKeyIQGHWAWHCJGYNB-UHFFFAOYSA-N
XLogP-3.67
TPSA48.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 5-3.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride 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 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride?
The IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride (CID 18527695) is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride?
The canonical SMILES for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride is CCn1c(=O)c2ccccc2n(CC[NH+](C)C)c1=O.[Cl-].
What is the InChIKey of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride?
The InChIKey is IQGHWAWHCJGYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-4-16-13(18)11-7-5-6-8-12(11)17(14(16)19)10-9-15(2)3;/h5-8H,4,9-10H2,1-3H3;1H.
What are the key properties of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride?
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride has a molecular weight of 297.79 g/mol, XLogP of -3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride is sourced from PubChem (CID 18527695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).