7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline

C14H16BrN3O — CID 67476097

IUPAC7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline
SMILESCN1CCC(Oc2cnc3ccc(Br)cc3n2)CC1
InChIInChI=1S/C14H16BrN3O/c1-18-6-4-11(5-7-18)19-14-9-16-12-3-2-10(15)8-13(12)17-14/h2-3,8-9,11H,4-7H2,1H3
InChIKeyPLFAPFFBLNSEOJ-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.87
Rot. Bonds2

About 7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline

7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline (PubChem CID 67476097) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline.

Molecular Properties

Compound Name7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline
PubChem CID67476097
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline
SMILESCN1CCC(Oc2cnc3ccc(Br)cc3n2)CC1
InChIInChI=1S/C14H16BrN3O/c1-18-6-4-11(5-7-18)19-14-9-16-12-3-2-10(15)8-13(12)17-14/h2-3,8-9,11H,4-7H2,1H3
InChIKeyPLFAPFFBLNSEOJ-UHFFFAOYSA-N
XLogP2.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline?
The IUPAC name of 7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline (CID 67476097) is 7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline.
What is the SMILES notation for 7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline?
The canonical SMILES for 7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline is CN1CCC(Oc2cnc3ccc(Br)cc3n2)CC1.
What is the InChIKey of 7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline?
The InChIKey is PLFAPFFBLNSEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-18-6-4-11(5-7-18)19-14-9-16-12-3-2-10(15)8-13(12)17-14/h2-3,8-9,11H,4-7H2,1H3.
What are the key properties of 7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline?
7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline has a molecular weight of 322.21 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline is sourced from PubChem (CID 67476097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).