5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine

C12H11BrN4 — CID 143031544

IUPAC5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine
SMILESBrc1c(NC2=CCCN2)ccc2nccnc12
InChIInChI=1S/C12H11BrN4/c13-11-8(17-10-2-1-5-15-10)3-4-9-12(11)16-7-6-14-9/h2-4,6-7,15,17H,1,5H2
InChIKeyONXOLCXUCUCZBQ-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.64
Rot. Bonds2

About 5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine

5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine (PubChem CID 143031544) has the molecular formula C12H11BrN4 and a molecular weight of 291.15 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine
PubChem CID143031544
Molecular FormulaC12H11BrN4
Molecular Weight291.15 g/mol
Exact Mass290.02
IUPAC Name5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine
SMILESBrc1c(NC2=CCCN2)ccc2nccnc12
InChIInChI=1S/C12H11BrN4/c13-11-8(17-10-2-1-5-15-10)3-4-9-12(11)16-7-6-14-9/h2-4,6-7,15,17H,1,5H2
InChIKeyONXOLCXUCUCZBQ-UHFFFAOYSA-N
XLogP2.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine?
The IUPAC name of 5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine (CID 143031544) is 5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine.
What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine?
The canonical SMILES for 5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine is Brc1c(NC2=CCCN2)ccc2nccnc12.
What is the InChIKey of 5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine?
The InChIKey is ONXOLCXUCUCZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4/c13-11-8(17-10-2-1-5-15-10)3-4-9-12(11)16-7-6-14-9/h2-4,6-7,15,17H,1,5H2.
What are the key properties of 5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine?
5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine has a molecular weight of 291.15 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine is sourced from PubChem (CID 143031544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).