6,7-dichloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione

C11H8Cl2N4O3 — CID 14229997

IUPAC6,7-dichloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione
SMILESCN1C(=O)Nc2cc(Cl)c(Cl)cc2C12NC(=O)NC2=O
InChIInChI=1S/C11H8Cl2N4O3/c1-17-10(20)14-7-3-6(13)5(12)2-4(7)11(17)8(18)15-9(19)16-11/h2-3H,1H3,(H,14,20)(H2,15,16,18,19)
InChIKeyDRJQSCFUISAEGH-UHFFFAOYSA-N
MW315.12 g/mol
LogP1.46
Rot. Bonds

About 6,7-dichloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione

6,7-dichloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione (PubChem CID 14229997) has the molecular formula C11H8Cl2N4O3 and a molecular weight of 315.12 g/mol. Its IUPAC name is 6,7-dichloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione.

Molecular Properties

Compound Name6,7-dichloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione
PubChem CID14229997
Molecular FormulaC11H8Cl2N4O3
Molecular Weight315.12 g/mol
Exact Mass314.00
IUPAC Name6,7-dichloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione
SMILESCN1C(=O)Nc2cc(Cl)c(Cl)cc2C12NC(=O)NC2=O
InChIInChI=1S/C11H8Cl2N4O3/c1-17-10(20)14-7-3-6(13)5(12)2-4(7)11(17)8(18)15-9(19)16-11/h2-3H,1H3,(H,14,20)(H2,15,16,18,19)
InChIKeyDRJQSCFUISAEGH-UHFFFAOYSA-N
XLogP1.46
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 51.46
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 6,7-dichloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione?
The IUPAC name of 6,7-dichloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione (CID 14229997) is 6,7-dichloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione.
What is the SMILES notation for 6,7-dichloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione?
The canonical SMILES for 6,7-dichloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione is CN1C(=O)Nc2cc(Cl)c(Cl)cc2C12NC(=O)NC2=O.
What is the InChIKey of 6,7-dichloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione?
The InChIKey is DRJQSCFUISAEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O3/c1-17-10(20)14-7-3-6(13)5(12)2-4(7)11(17)8(18)15-9(19)16-11/h2-3H,1H3,(H,14,20)(H2,15,16,18,19).
What are the key properties of 6,7-dichloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione?
6,7-dichloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione has a molecular weight of 315.12 g/mol, XLogP of 1.46, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione is sourced from PubChem (CID 14229997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).