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

C11H9ClN4O3 — CID 14229968

IUPAC6-chloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione
SMILESCN1C(=O)Nc2ccc(Cl)cc2C12NC(=O)NC2=O
InChIInChI=1S/C11H9ClN4O3/c1-16-10(19)13-7-3-2-5(12)4-6(7)11(16)8(17)14-9(18)15-11/h2-4H,1H3,(H,13,19)(H2,14,15,17,18)
InChIKeyQBRYBUXHTFUNRQ-UHFFFAOYSA-N
MW280.67 g/mol
LogP0.81
Rot. Bonds

About 6-chloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione

6-chloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione (PubChem CID 14229968) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 6-chloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione.

Molecular Properties

Compound Name6-chloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione
PubChem CID14229968
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name6-chloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione
SMILESCN1C(=O)Nc2ccc(Cl)cc2C12NC(=O)NC2=O
InChIInChI=1S/C11H9ClN4O3/c1-16-10(19)13-7-3-2-5(12)4-6(7)11(16)8(17)14-9(18)15-11/h2-4H,1H3,(H,13,19)(H2,14,15,17,18)
InChIKeyQBRYBUXHTFUNRQ-UHFFFAOYSA-N
XLogP0.81
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 50.81
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 6-chloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione?
The IUPAC name of 6-chloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione (CID 14229968) is 6-chloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione.
What is the SMILES notation for 6-chloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione?
The canonical SMILES for 6-chloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione is CN1C(=O)Nc2ccc(Cl)cc2C12NC(=O)NC2=O.
What is the InChIKey of 6-chloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione?
The InChIKey is QBRYBUXHTFUNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c1-16-10(19)13-7-3-2-5(12)4-6(7)11(16)8(17)14-9(18)15-11/h2-4H,1H3,(H,13,19)(H2,14,15,17,18).
What are the key properties of 6-chloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione?
6-chloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione has a molecular weight of 280.67 g/mol, XLogP of 0.81, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione is sourced from PubChem (CID 14229968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).