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

C11H11N3O3 — CID 74650478

IUPAC2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C11H11N3O3/c1-12-9(15)6-14-10(16)7-4-2-3-5-8(7)13-11(14)17/h2-5,7H,6H2,1H3,(H,12,15)
InChIKeyLWUTYHVCGOOUAL-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.12
Rot. Bonds2

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

2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-methylacetamide (PubChem CID 74650478) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-methylacetamide
PubChem CID74650478
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C11H11N3O3/c1-12-9(15)6-14-10(16)7-4-2-3-5-8(7)13-11(14)17/h2-5,7H,6H2,1H3,(H,12,15)
InChIKeyLWUTYHVCGOOUAL-UHFFFAOYSA-N
XLogP-0.12
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.12
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-methylacetamide?
The IUPAC name of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-methylacetamide (CID 74650478) is 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-methylacetamide is CNC(=O)CN1C(=O)N=C2C=CC=CC2C1=O.
What is the InChIKey of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-methylacetamide?
The InChIKey is LWUTYHVCGOOUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-12-9(15)6-14-10(16)7-4-2-3-5-8(7)13-11(14)17/h2-5,7H,6H2,1H3,(H,12,15).
What are the key properties of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-methylacetamide?
2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-methylacetamide has a molecular weight of 233.23 g/mol, XLogP of -0.12, 2 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-methylacetamide is sourced from PubChem (CID 74650478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).