7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]

C13H17BrN2 — CID 115097468

IUPAC7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
SMILESCCN1c2ccc(Br)cc2NCC12CCC2
InChIInChI=1S/C13H17BrN2/c1-2-16-12-5-4-10(14)8-11(12)15-9-13(16)6-3-7-13/h4-5,8,15H,2-3,6-7,9H2,1H3
InChIKeySEFXNLYVZROPEI-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.62
Rot. Bonds1

About 7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]

7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] (PubChem CID 115097468) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane].

Molecular Properties

Compound Name7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
PubChem CID115097468
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
SMILESCCN1c2ccc(Br)cc2NCC12CCC2
InChIInChI=1S/C13H17BrN2/c1-2-16-12-5-4-10(14)8-11(12)15-9-13(16)6-3-7-13/h4-5,8,15H,2-3,6-7,9H2,1H3
InChIKeySEFXNLYVZROPEI-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] with MolForge

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Related Compounds

7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115098978
7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115095634
7-bromo-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115099440
6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 115049494
7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 115429330
7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 115097804
2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine
CID 117031082
7-bromospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,4'-oxane]
CID 113310341
8-bromospiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclobutane]
CID 115099424
7-bromo-3a-methyl-2,3,4,5,10,10a-hexahydro-1H-cyclopenta[b][1,5]benzodiazepine
CID 82765251
8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948865
6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 84644245

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]?
The IUPAC name of 7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] (CID 115097468) is 7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane].
What is the SMILES notation for 7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]?
The canonical SMILES for 7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] is CCN1c2ccc(Br)cc2NCC12CCC2.
What is the InChIKey of 7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]?
The InChIKey is SEFXNLYVZROPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-2-16-12-5-4-10(14)8-11(12)15-9-13(16)6-3-7-13/h4-5,8,15H,2-3,6-7,9H2,1H3.
What are the key properties of 7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]?
7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] has a molecular weight of 281.20 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] is sourced from PubChem (CID 115097468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).