8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid

C10H10N2O5S — CID 22642174

IUPAC8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid
SMILESCCc1c(S(=O)(=O)O)ccc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C10H10N2O5S/c1-2-5-7(18(15,16)17)4-3-6-8(5)11-10(14)12-9(6)13/h3-4H,2H2,1H3,(H,15,16,17)(H2,11,12,13,14)
InChIKeyFFYJSHZEMLZUNV-UHFFFAOYSA-N
MW270.27 g/mol
LogP0.03
Rot. Bonds2

About 8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid

8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid (PubChem CID 22642174) has the molecular formula C10H10N2O5S and a molecular weight of 270.27 g/mol. Its IUPAC name is 8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid.

Molecular Properties

Compound Name8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid
PubChem CID22642174
Molecular FormulaC10H10N2O5S
Molecular Weight270.27 g/mol
Exact Mass270.03
IUPAC Name8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid
SMILESCCc1c(S(=O)(=O)O)ccc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C10H10N2O5S/c1-2-5-7(18(15,16)17)4-3-6-8(5)11-10(14)12-9(6)13/h3-4H,2H2,1H3,(H,15,16,17)(H2,11,12,13,14)
InChIKeyFFYJSHZEMLZUNV-UHFFFAOYSA-N
XLogP0.03
TPSA120.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethyl-2,4-dioxo-1H-quinazoline-6-sulfonic acid
CID 22642157
2-ethyl-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene-3-sulfonic acid
CID 141162587
2,4-dioxo-7-propan-2-yl-1H-quinazoline-6-sulfonic acid
CID 22642068
8-ethoxy-1H-quinazoline-2,4-dione
CID 19604239
8-pent-1-enyl-1H-quinazoline-2,4-dione
CID 54140052
2-ethyl-3-trihydroxysilylbenzenesulfonic acid
CID 169227932
2-ethyl-3-(ethylamino)benzenesulfonic acid
CID 54128758
1,7-dihydropyrido[3,4-d]pyrimidine-2,4,8-trione
CID 82409795
5-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid
CID 22642266
1H-pyrido[4,3-h]quinazoline-2,4-dione
CID 142642114
CID 151517165
CID 151517165
7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide
CID 173347854

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid?
The IUPAC name of 8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid (CID 22642174) is 8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid.
What is the SMILES notation for 8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid?
The canonical SMILES for 8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid is CCc1c(S(=O)(=O)O)ccc2c(=O)[nH]c(=O)[nH]c12.
What is the InChIKey of 8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid?
The InChIKey is FFYJSHZEMLZUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5S/c1-2-5-7(18(15,16)17)4-3-6-8(5)11-10(14)12-9(6)13/h3-4H,2H2,1H3,(H,15,16,17)(H2,11,12,13,14).
What are the key properties of 8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid?
8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid has a molecular weight of 270.27 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid is sourced from PubChem (CID 22642174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).