3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione

C11H10N4O3 — CID 14229988

IUPAC3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione
SMILESCN1C(=O)Nc2ccccc2C12NC(=O)NC2=O
InChIInChI=1S/C11H10N4O3/c1-15-10(18)12-7-5-3-2-4-6(7)11(15)8(16)13-9(17)14-11/h2-5H,1H3,(H,12,18)(H2,13,14,16,17)
InChIKeyWTRHXNHBRZONAP-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.16
Rot. Bonds

About 3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione

3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione (PubChem CID 14229988) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione.

Molecular Properties

Compound Name3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione
PubChem CID14229988
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione
SMILESCN1C(=O)Nc2ccccc2C12NC(=O)NC2=O
InChIInChI=1S/C11H10N4O3/c1-15-10(18)12-7-5-3-2-4-6(7)11(15)8(16)13-9(17)14-11/h2-5H,1H3,(H,12,18)(H2,13,14,16,17)
InChIKeyWTRHXNHBRZONAP-UHFFFAOYSA-N
XLogP0.16
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione?
The IUPAC name of 3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione (CID 14229988) is 3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione.
What is the SMILES notation for 3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione?
The canonical SMILES for 3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione is CN1C(=O)Nc2ccccc2C12NC(=O)NC2=O.
What is the InChIKey of 3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione?
The InChIKey is WTRHXNHBRZONAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-15-10(18)12-7-5-3-2-4-6(7)11(15)8(16)13-9(17)14-11/h2-5H,1H3,(H,12,18)(H2,13,14,16,17).
What are the key properties of 3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione?
3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione has a molecular weight of 246.23 g/mol, XLogP of 0.16, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione is sourced from PubChem (CID 14229988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).