2-(bromomethyl)-5-chloro-3-(3-fluorophenyl)quinoxaline;5-chloro-3-(3-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione

C35H25Br3Cl2F2N6O2 — CID 160840105

IUPAC2-(bromomethyl)-5-chloro-3-(3-fluorophenyl)quinoxaline;5-chloro-3-(3-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(Br)C(=O)N1Br.Cc1nc2cccc(Cl)c2nc1-c1cccc(F)c1.Fc1cccc(-c2nc3c(Cl)cccc3nc2CBr)c1
InChIInChI=1S/C15H9BrClFN2.C15H10ClFN2.C5H6Br2N2O2/c16-8-13-14(9-3-1-4-10(18)7-9)20-15-11(17)5-2-6-12(15)19-13;1-9-14(10-4-2-5-11(17)8-10)19-15-12(16)6-3-7-13(15)18-9;1-5(2)3(10)8(6)4(11)9(5)7/h1-7H,8H2;2-8H,1H3;1-2H3
InChIKeySHXLJFJJJYYRDP-UHFFFAOYSA-N
MW910.24 g/mol
LogP11.03
Rot. Bonds3

About 2-(bromomethyl)-5-chloro-3-(3-fluorophenyl)quinoxaline;5-chloro-3-(3-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione

2-(bromomethyl)-5-chloro-3-(3-fluorophenyl)quinoxaline;5-chloro-3-(3-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 160840105) has the molecular formula C35H25Br3Cl2F2N6O2 and a molecular weight of 910.24 g/mol. Its IUPAC name is 2-(bromomethyl)-5-chloro-3-(3-fluorophenyl)quinoxaline;5-chloro-3-(3-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name2-(bromomethyl)-5-chloro-3-(3-fluorophenyl)quinoxaline;5-chloro-3-(3-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione
PubChem CID160840105
Molecular FormulaC35H25Br3Cl2F2N6O2
Molecular Weight910.24 g/mol
Exact Mass905.89
IUPAC Name2-(bromomethyl)-5-chloro-3-(3-fluorophenyl)quinoxaline;5-chloro-3-(3-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(Br)C(=O)N1Br.Cc1nc2cccc(Cl)c2nc1-c1cccc(F)c1.Fc1cccc(-c2nc3c(Cl)cccc3nc2CBr)c1
InChIInChI=1S/C15H9BrClFN2.C15H10ClFN2.C5H6Br2N2O2/c16-8-13-14(9-3-1-4-10(18)7-9)20-15-11(17)5-2-6-12(15)19-13;1-9-14(10-4-2-5-11(17)8-10)19-15-12(16)6-3-7-13(15)18-9;1-5(2)3(10)8(6)4(11)9(5)7/h1-7H,8H2;2-8H,1H3;1-2H3
InChIKeySHXLJFJJJYYRDP-UHFFFAOYSA-N
XLogP11.03
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.24
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-chloro-3-(3-fluorophenyl)quinoxaline;5-chloro-3-(3-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 2-(bromomethyl)-5-chloro-3-(3-fluorophenyl)quinoxaline;5-chloro-3-(3-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione (CID 160840105) is 2-(bromomethyl)-5-chloro-3-(3-fluorophenyl)quinoxaline;5-chloro-3-(3-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 2-(bromomethyl)-5-chloro-3-(3-fluorophenyl)quinoxaline;5-chloro-3-(3-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 2-(bromomethyl)-5-chloro-3-(3-fluorophenyl)quinoxaline;5-chloro-3-(3-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(Br)C(=O)N1Br.Cc1nc2cccc(Cl)c2nc1-c1cccc(F)c1.Fc1cccc(-c2nc3c(Cl)cccc3nc2CBr)c1.
What is the InChIKey of 2-(bromomethyl)-5-chloro-3-(3-fluorophenyl)quinoxaline;5-chloro-3-(3-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is SHXLJFJJJYYRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2.C15H10ClFN2.C5H6Br2N2O2/c16-8-13-14(9-3-1-4-10(18)7-9)20-15-11(17)5-2-6-12(15)19-13;1-9-14(10-4-2-5-11(17)8-10)19-15-12(16)6-3-7-13(15)18-9;1-5(2)3(10)8(6)4(11)9(5)7/h1-7H,8H2;2-8H,1H3;1-2H3.
What are the key properties of 2-(bromomethyl)-5-chloro-3-(3-fluorophenyl)quinoxaline;5-chloro-3-(3-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione?
2-(bromomethyl)-5-chloro-3-(3-fluorophenyl)quinoxaline;5-chloro-3-(3-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 910.24 g/mol, XLogP of 11.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-chloro-3-(3-fluorophenyl)quinoxaline;5-chloro-3-(3-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 160840105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).