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

C35H23Br3Cl4F2N6O2 — CID 161009078

IUPAC2-(bromomethyl)-5-chloro-3-(2-chloro-5-fluorophenyl)quinoxaline;5-chloro-3-(2-chloro-5-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(Br)C(=O)N1Br.Cc1nc2cccc(Cl)c2nc1-c1cc(F)ccc1Cl.Fc1ccc(Cl)c(-c2nc3c(Cl)cccc3nc2CBr)c1
InChIInChI=1S/C15H8BrCl2FN2.C15H9Cl2FN2.C5H6Br2N2O2/c16-7-13-14(9-6-8(19)4-5-10(9)17)21-15-11(18)2-1-3-12(15)20-13;1-8-14(10-7-9(18)5-6-11(10)16)20-15-12(17)3-2-4-13(15)19-8;1-5(2)3(10)8(6)4(11)9(5)7/h1-6H,7H2;2-7H,1H3;1-2H3
InChIKeyTWWXQWUYKFESFZ-UHFFFAOYSA-N
MW979.13 g/mol
LogP12.34
Rot. Bonds3

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

2-(bromomethyl)-5-chloro-3-(2-chloro-5-fluorophenyl)quinoxaline;5-chloro-3-(2-chloro-5-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 161009078) has the molecular formula C35H23Br3Cl4F2N6O2 and a molecular weight of 979.13 g/mol. Its IUPAC name is 2-(bromomethyl)-5-chloro-3-(2-chloro-5-fluorophenyl)quinoxaline;5-chloro-3-(2-chloro-5-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name2-(bromomethyl)-5-chloro-3-(2-chloro-5-fluorophenyl)quinoxaline;5-chloro-3-(2-chloro-5-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione
PubChem CID161009078
Molecular FormulaC35H23Br3Cl4F2N6O2
Molecular Weight979.13 g/mol
Exact Mass973.82
IUPAC Name2-(bromomethyl)-5-chloro-3-(2-chloro-5-fluorophenyl)quinoxaline;5-chloro-3-(2-chloro-5-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(Br)C(=O)N1Br.Cc1nc2cccc(Cl)c2nc1-c1cc(F)ccc1Cl.Fc1ccc(Cl)c(-c2nc3c(Cl)cccc3nc2CBr)c1
InChIInChI=1S/C15H8BrCl2FN2.C15H9Cl2FN2.C5H6Br2N2O2/c16-7-13-14(9-6-8(19)4-5-10(9)17)21-15-11(18)2-1-3-12(15)20-13;1-8-14(10-7-9(18)5-6-11(10)16)20-15-12(17)3-2-4-13(15)19-8;1-5(2)3(10)8(6)4(11)9(5)7/h1-6H,7H2;2-7H,1H3;1-2H3
InChIKeyTWWXQWUYKFESFZ-UHFFFAOYSA-N
XLogP12.34
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.13
LogP ≤ 512.34
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-(2-chloro-5-fluorophenyl)quinoxaline;5-chloro-3-(2-chloro-5-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 2-(bromomethyl)-5-chloro-3-(2-chloro-5-fluorophenyl)quinoxaline;5-chloro-3-(2-chloro-5-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione (CID 161009078) is 2-(bromomethyl)-5-chloro-3-(2-chloro-5-fluorophenyl)quinoxaline;5-chloro-3-(2-chloro-5-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 2-(bromomethyl)-5-chloro-3-(2-chloro-5-fluorophenyl)quinoxaline;5-chloro-3-(2-chloro-5-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 2-(bromomethyl)-5-chloro-3-(2-chloro-5-fluorophenyl)quinoxaline;5-chloro-3-(2-chloro-5-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-c1cc(F)ccc1Cl.Fc1ccc(Cl)c(-c2nc3c(Cl)cccc3nc2CBr)c1.
What is the InChIKey of 2-(bromomethyl)-5-chloro-3-(2-chloro-5-fluorophenyl)quinoxaline;5-chloro-3-(2-chloro-5-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is TWWXQWUYKFESFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2FN2.C15H9Cl2FN2.C5H6Br2N2O2/c16-7-13-14(9-6-8(19)4-5-10(9)17)21-15-11(18)2-1-3-12(15)20-13;1-8-14(10-7-9(18)5-6-11(10)16)20-15-12(17)3-2-4-13(15)19-8;1-5(2)3(10)8(6)4(11)9(5)7/h1-6H,7H2;2-7H,1H3;1-2H3.
What are the key properties of 2-(bromomethyl)-5-chloro-3-(2-chloro-5-fluorophenyl)quinoxaline;5-chloro-3-(2-chloro-5-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione?
2-(bromomethyl)-5-chloro-3-(2-chloro-5-fluorophenyl)quinoxaline;5-chloro-3-(2-chloro-5-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 979.13 g/mol, XLogP of 12.34, 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-(2-chloro-5-fluorophenyl)quinoxaline;5-chloro-3-(2-chloro-5-fluorophenyl)-2-methylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 161009078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).