2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide

C12H13N3O3 — CID 75134522

IUPAC2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C12H13N3O3/c1-2-13-10(16)7-15-11(17)8-5-3-4-6-9(8)14-12(15)18/h3-6,8H,2,7H2,1H3,(H,13,16)
InChIKeyULFCQHWFYFHEBV-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.27
Rot. Bonds3

About 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide

2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide (PubChem CID 75134522) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide
PubChem CID75134522
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C12H13N3O3/c1-2-13-10(16)7-15-11(17)8-5-3-4-6-9(8)14-12(15)18/h3-6,8H,2,7H2,1H3,(H,13,16)
InChIKeyULFCQHWFYFHEBV-UHFFFAOYSA-N
XLogP0.27
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide?
The IUPAC name of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide (CID 75134522) is 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide is CCNC(=O)CN1C(=O)N=C2C=CC=CC2C1=O.
What is the InChIKey of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide?
The InChIKey is ULFCQHWFYFHEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-13-10(16)7-15-11(17)8-5-3-4-6-9(8)14-12(15)18/h3-6,8H,2,7H2,1H3,(H,13,16).
What are the key properties of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide?
2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide has a molecular weight of 247.25 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide is sourced from PubChem (CID 75134522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).