N-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine

C13H10BrN3O — CID 54863499

IUPACN-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine
SMILESBrc1ccc(CNc2ccc3nccnc3c2)o1
InChIInChI=1S/C13H10BrN3O/c14-13-4-2-10(18-13)8-17-9-1-3-11-12(7-9)16-6-5-15-11/h1-7,17H,8H2
InChIKeyZCWUWEKYKHKRQH-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.60
Rot. Bonds3

About N-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine

N-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine (PubChem CID 54863499) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine
PubChem CID54863499
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC NameN-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine
SMILESBrc1ccc(CNc2ccc3nccnc3c2)o1
InChIInChI=1S/C13H10BrN3O/c14-13-4-2-10(18-13)8-17-9-1-3-11-12(7-9)16-6-5-15-11/h1-7,17H,8H2
InChIKeyZCWUWEKYKHKRQH-UHFFFAOYSA-N
XLogP3.60
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine (CID 54863499) is N-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine is Brc1ccc(CNc2ccc3nccnc3c2)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine?
The InChIKey is ZCWUWEKYKHKRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-13-4-2-10(18-13)8-17-9-1-3-11-12(7-9)16-6-5-15-11/h1-7,17H,8H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine?
N-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine has a molecular weight of 304.15 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine is sourced from PubChem (CID 54863499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).