3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione

C12H8BrN3O2 — CID 107841893

IUPAC3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1cccc2cc(Br)cnc12
InChIInChI=1S/C12H8BrN3O2/c13-8-4-7-2-1-3-9(11(7)14-5-8)16-10(17)6-15-12(16)18/h1-5H,6H2,(H,15,18)
InChIKeyGCURSHWXEVLMGW-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.05
Rot. Bonds1

About 3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione

3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione (PubChem CID 107841893) has the molecular formula C12H8BrN3O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is 3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione
PubChem CID107841893
Molecular FormulaC12H8BrN3O2
Molecular Weight306.12 g/mol
Exact Mass304.98
IUPAC Name3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1cccc2cc(Br)cnc12
InChIInChI=1S/C12H8BrN3O2/c13-8-4-7-2-1-3-9(11(7)14-5-8)16-10(17)6-15-12(16)18/h1-5H,6H2,(H,15,18)
InChIKeyGCURSHWXEVLMGW-UHFFFAOYSA-N
XLogP2.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.05
H-Bond Donors ≤ 51
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-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione (CID 107841893) is 3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione is O=C1CNC(=O)N1c1cccc2cc(Br)cnc12.
What is the InChIKey of 3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione?
The InChIKey is GCURSHWXEVLMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O2/c13-8-4-7-2-1-3-9(11(7)14-5-8)16-10(17)6-15-12(16)18/h1-5H,6H2,(H,15,18).
What are the key properties of 3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione?
3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione has a molecular weight of 306.12 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 107841893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).