N-[3-(2-methoxyethyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide

C13H15N3O4 — CID 118576593

IUPACN-[3-(2-methoxyethyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide
SMILESCOCCn1c(=O)[nH]c2ccc(NC(C)=O)cc2c1=O
InChIInChI=1S/C13H15N3O4/c1-8(17)14-9-3-4-11-10(7-9)12(18)16(5-6-20-2)13(19)15-11/h3-4,7H,5-6H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyKCEXPSQGCWFUFS-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.29
Rot. Bonds4

About N-[3-(2-methoxyethyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide

N-[3-(2-methoxyethyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide (PubChem CID 118576593) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide
PubChem CID118576593
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC NameN-[3-(2-methoxyethyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide
SMILESCOCCn1c(=O)[nH]c2ccc(NC(C)=O)cc2c1=O
InChIInChI=1S/C13H15N3O4/c1-8(17)14-9-3-4-11-10(7-9)12(18)16(5-6-20-2)13(19)15-11/h3-4,7H,5-6H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyKCEXPSQGCWFUFS-UHFFFAOYSA-N
XLogP0.29
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide?
The IUPAC name of N-[3-(2-methoxyethyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide (CID 118576593) is N-[3-(2-methoxyethyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide?
The canonical SMILES for N-[3-(2-methoxyethyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide is COCCn1c(=O)[nH]c2ccc(NC(C)=O)cc2c1=O.
What is the InChIKey of N-[3-(2-methoxyethyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide?
The InChIKey is KCEXPSQGCWFUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-8(17)14-9-3-4-11-10(7-9)12(18)16(5-6-20-2)13(19)15-11/h3-4,7H,5-6H2,1-2H3,(H,14,17)(H,15,19).
What are the key properties of N-[3-(2-methoxyethyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide?
N-[3-(2-methoxyethyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide has a molecular weight of 277.28 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide is sourced from PubChem (CID 118576593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).