sodium 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetate

C11H9N2NaO4 — CID 23693329

IUPACsodium 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetate
SMILESCn1c(=O)n(CC(=O)[O-])c(=O)c2ccccc21.[Na+]
InChIInChI=1S/C11H10N2O4.Na/c1-12-8-5-3-2-4-7(8)10(16)13(11(12)17)6-9(14)15;/h2-5H,6H2,1H3,(H,14,15);/q;+1/p-1
InChIKeyFMZHMRDMFILPHI-UHFFFAOYSA-M
MW256.19 g/mol
LogP-4.55
Rot. Bonds2

About sodium 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetate

sodium 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetate (PubChem CID 23693329) has the molecular formula C11H9N2NaO4 and a molecular weight of 256.19 g/mol. Its IUPAC name is sodium 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Namesodium 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetate
PubChem CID23693329
Molecular FormulaC11H9N2NaO4
Molecular Weight256.19 g/mol
Exact Mass256.05
IUPAC Namesodium 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetate
SMILESCn1c(=O)n(CC(=O)[O-])c(=O)c2ccccc21.[Na+]
InChIInChI=1S/C11H10N2O4.Na/c1-12-8-5-3-2-4-7(8)10(16)13(11(12)17)6-9(14)15;/h2-5H,6H2,1H3,(H,14,15);/q;+1/p-1
InChIKeyFMZHMRDMFILPHI-UHFFFAOYSA-M
XLogP-4.55
TPSA84.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 5-4.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetate?
The IUPAC name of sodium 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetate (CID 23693329) is sodium 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetate.
What is the SMILES notation for sodium 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetate?
The canonical SMILES for sodium 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetate is Cn1c(=O)n(CC(=O)[O-])c(=O)c2ccccc21.[Na+].
What is the InChIKey of sodium 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetate?
The InChIKey is FMZHMRDMFILPHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10N2O4.Na/c1-12-8-5-3-2-4-7(8)10(16)13(11(12)17)6-9(14)15;/h2-5H,6H2,1H3,(H,14,15);/q;+1/p-1.
What are the key properties of sodium 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetate?
sodium 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetate has a molecular weight of 256.19 g/mol, XLogP of -4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetate is sourced from PubChem (CID 23693329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).