6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]

C14H19BrN2 — CID 84644245

IUPAC6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
SMILESCc1cc(Br)cc2c1NCC1(CCCC1)N2C
InChIInChI=1S/C14H19BrN2/c1-10-7-11(15)8-12-13(10)16-9-14(17(12)2)5-3-4-6-14/h7-8,16H,3-6,9H2,1-2H3
InChIKeyJYKZZLPORRKWQP-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.93
Rot. Bonds

About 6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]

6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane] (PubChem CID 84644245) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane].

Molecular Properties

Compound Name6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
PubChem CID84644245
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
SMILESCc1cc(Br)cc2c1NCC1(CCCC1)N2C
InChIInChI=1S/C14H19BrN2/c1-10-7-11(15)8-12-13(10)16-9-14(17(12)2)5-3-4-6-14/h7-8,16H,3-6,9H2,1-2H3
InChIKeyJYKZZLPORRKWQP-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]?
The IUPAC name of 6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane] (CID 84644245) is 6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane].
What is the SMILES notation for 6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]?
The canonical SMILES for 6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane] is Cc1cc(Br)cc2c1NCC1(CCCC1)N2C.
What is the InChIKey of 6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]?
The InChIKey is JYKZZLPORRKWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-10-7-11(15)8-12-13(10)16-9-14(17(12)2)5-3-4-6-14/h7-8,16H,3-6,9H2,1-2H3.
What are the key properties of 6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]?
6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane] has a molecular weight of 295.22 g/mol, XLogP of 3.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane] is sourced from PubChem (CID 84644245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).