7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one

C14H17BrN2O — CID 79296030

IUPAC7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
SMILESCC1CCC2(CC1)Nc1ccc(Br)cc1NC2=O
InChIInChI=1S/C14H17BrN2O/c1-9-4-6-14(7-5-9)13(18)16-12-8-10(15)2-3-11(12)17-14/h2-3,8-9,17H,4-7H2,1H3,(H,16,18)
InChIKeyVHNFNNITROGVOF-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.76
Rot. Bonds

About 7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one

7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one (PubChem CID 79296030) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
PubChem CID79296030
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
SMILESCC1CCC2(CC1)Nc1ccc(Br)cc1NC2=O
InChIInChI=1S/C14H17BrN2O/c1-9-4-6-14(7-5-9)13(18)16-12-8-10(15)2-3-11(12)17-14/h2-3,8-9,17H,4-7H2,1H3,(H,16,18)
InChIKeyVHNFNNITROGVOF-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
The IUPAC name of 7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one (CID 79296030) is 7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
The canonical SMILES for 7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one is CC1CCC2(CC1)Nc1ccc(Br)cc1NC2=O.
What is the InChIKey of 7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
The InChIKey is VHNFNNITROGVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-9-4-6-14(7-5-9)13(18)16-12-8-10(15)2-3-11(12)17-14/h2-3,8-9,17H,4-7H2,1H3,(H,16,18).
What are the key properties of 7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one has a molecular weight of 309.21 g/mol, XLogP of 3.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 79296030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).