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

C14H19BrN2 — CID 115097943

IUPAC5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
SMILESCN1c2c(Br)cccc2NCC12CCCCC2
InChIInChI=1S/C14H19BrN2/c1-17-13-11(15)6-5-7-12(13)16-10-14(17)8-3-2-4-9-14/h5-7,16H,2-4,8-10H2,1H3
InChIKeyLOKTYMVWWFICCS-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.01
Rot. Bonds

About 5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]

5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane] (PubChem CID 115097943) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane].

Molecular Properties

Compound Name5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
PubChem CID115097943
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
SMILESCN1c2c(Br)cccc2NCC12CCCCC2
InChIInChI=1S/C14H19BrN2/c1-17-13-11(15)6-5-7-12(13)16-10-14(17)8-3-2-4-9-14/h5-7,16H,2-4,8-10H2,1H3
InChIKeyLOKTYMVWWFICCS-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane] with MolForge

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Related Compounds

5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097947
4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097937
5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 84637531
5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
CID 115097269
4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane]
CID 115096893
5-methyl-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097965
5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115096887
5-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 115097649
5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
CID 115099504
6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115099075
6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 84644245
ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 123637985

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]?
The IUPAC name of 5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane] (CID 115097943) is 5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane].
What is the SMILES notation for 5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]?
The canonical SMILES for 5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane] is CN1c2c(Br)cccc2NCC12CCCCC2.
What is the InChIKey of 5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]?
The InChIKey is LOKTYMVWWFICCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-17-13-11(15)6-5-7-12(13)16-10-14(17)8-3-2-4-9-14/h5-7,16H,2-4,8-10H2,1H3.
What are the key properties of 5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]?
5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane] has a molecular weight of 295.22 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane] is sourced from PubChem (CID 115097943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).