2,4-dioxo-1H-quinazoline-6-carboxylic acid

C9H6N2O4 — CID 19604389

IUPAC2,4-dioxo-1H-quinazoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C9H6N2O4/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15)
InChIKeyFDJXVHKCNJIHTB-UHFFFAOYSA-N
MW206.16 g/mol
LogP-0.09
Rot. Bonds1

About 2,4-dioxo-1H-quinazoline-6-carboxylic acid

2,4-dioxo-1H-quinazoline-6-carboxylic acid (PubChem CID 19604389) has the molecular formula C9H6N2O4 and a molecular weight of 206.16 g/mol. Its IUPAC name is 2,4-dioxo-1H-quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-1H-quinazoline-6-carboxylic acid
PubChem CID19604389
Molecular FormulaC9H6N2O4
Molecular Weight206.16 g/mol
Exact Mass206.03
IUPAC Name2,4-dioxo-1H-quinazoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C9H6N2O4/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15)
InChIKeyFDJXVHKCNJIHTB-UHFFFAOYSA-N
XLogP-0.09
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-quinazoline-6-carboxylic acid?
The IUPAC name of 2,4-dioxo-1H-quinazoline-6-carboxylic acid (CID 19604389) is 2,4-dioxo-1H-quinazoline-6-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-1H-quinazoline-6-carboxylic acid?
The canonical SMILES for 2,4-dioxo-1H-quinazoline-6-carboxylic acid is O=C(O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 2,4-dioxo-1H-quinazoline-6-carboxylic acid?
The InChIKey is FDJXVHKCNJIHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15).
What are the key properties of 2,4-dioxo-1H-quinazoline-6-carboxylic acid?
2,4-dioxo-1H-quinazoline-6-carboxylic acid has a molecular weight of 206.16 g/mol, XLogP of -0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-quinazoline-6-carboxylic acid is sourced from PubChem (CID 19604389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).