6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione

C15H17BrN2O2 — CID 61098910

IUPAC6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(C(Br)C3CCCCC3)cc2[nH]c1=O
InChIInChI=1S/C15H17BrN2O2/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-15(20)14(19)17-11/h6-9,13H,1-5H2,(H,17,19)(H,18,20)
InChIKeyGSRGSQOCIPZYOQ-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.23
Rot. Bonds2

About 6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione

6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 61098910) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID61098910
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(C(Br)C3CCCCC3)cc2[nH]c1=O
InChIInChI=1S/C15H17BrN2O2/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-15(20)14(19)17-11/h6-9,13H,1-5H2,(H,17,19)(H,18,20)
InChIKeyGSRGSQOCIPZYOQ-UHFFFAOYSA-N
XLogP3.23
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 65023133
5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61087315
2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid
CID 82502145
5-[bromo(oxolan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61096710
5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one
CID 82500369
6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439571
[bromo-(3,4-dichlorophenyl)methyl]cycloheptane
CID 63445197
3-[bromo(cyclobutyl)methyl]-9H-carbazole
CID 63442259
6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 43723406
6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 83149783
6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 64868082
6-[1-bromo-3-(oxolan-2-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 65158312

Frequently Asked Questions

What is the IUPAC name of 6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione (CID 61098910) is 6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(C(Br)C3CCCCC3)cc2[nH]c1=O.
What is the InChIKey of 6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is GSRGSQOCIPZYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-15(20)14(19)17-11/h6-9,13H,1-5H2,(H,17,19)(H,18,20).
What are the key properties of 6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 337.22 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 61098910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).