2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate

C16H20N2O4 — CID 59779886

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C16H20N2O4/c1-4-16(2,3)14(20)22-10-9-18-13(19)11-7-5-6-8-12(11)17-15(18)21/h5-8H,4,9-10H2,1-3H3,(H,17,21)
InChIKeyITHZFLNZCPLOCB-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.67
Rot. Bonds5

About 2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate

2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate (PubChem CID 59779886) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate
PubChem CID59779886
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C16H20N2O4/c1-4-16(2,3)14(20)22-10-9-18-13(19)11-7-5-6-8-12(11)17-15(18)21/h5-8H,4,9-10H2,1-3H3,(H,17,21)
InChIKeyITHZFLNZCPLOCB-UHFFFAOYSA-N
XLogP1.67
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate (CID 59779886) is 2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate?
The InChIKey is ITHZFLNZCPLOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-16(2,3)14(20)22-10-9-18-13(19)11-7-5-6-8-12(11)17-15(18)21/h5-8H,4,9-10H2,1-3H3,(H,17,21).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate?
2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate has a molecular weight of 304.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 59779886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).