5-bromo-N,N-dipropylquinoxalin-6-amine

C14H18BrN3 — CID 112752922

IUPAC5-bromo-N,N-dipropylquinoxalin-6-amine
SMILESCCCN(CCC)c1ccc2nccnc2c1Br
InChIInChI=1S/C14H18BrN3/c1-3-9-18(10-4-2)12-6-5-11-14(13(12)15)17-8-7-16-11/h5-8H,3-4,9-10H2,1-2H3
InChIKeyDRCLDFROSXGJRL-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.02
Rot. Bonds5

About 5-bromo-N,N-dipropylquinoxalin-6-amine

5-bromo-N,N-dipropylquinoxalin-6-amine (PubChem CID 112752922) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 5-bromo-N,N-dipropylquinoxalin-6-amine.

Molecular Properties

Compound Name5-bromo-N,N-dipropylquinoxalin-6-amine
PubChem CID112752922
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name5-bromo-N,N-dipropylquinoxalin-6-amine
SMILESCCCN(CCC)c1ccc2nccnc2c1Br
InChIInChI=1S/C14H18BrN3/c1-3-9-18(10-4-2)12-6-5-11-14(13(12)15)17-8-7-16-11/h5-8H,3-4,9-10H2,1-2H3
InChIKeyDRCLDFROSXGJRL-UHFFFAOYSA-N
XLogP4.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dipropylquinoxalin-6-amine?
The IUPAC name of 5-bromo-N,N-dipropylquinoxalin-6-amine (CID 112752922) is 5-bromo-N,N-dipropylquinoxalin-6-amine.
What is the SMILES notation for 5-bromo-N,N-dipropylquinoxalin-6-amine?
The canonical SMILES for 5-bromo-N,N-dipropylquinoxalin-6-amine is CCCN(CCC)c1ccc2nccnc2c1Br.
What is the InChIKey of 5-bromo-N,N-dipropylquinoxalin-6-amine?
The InChIKey is DRCLDFROSXGJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-9-18(10-4-2)12-6-5-11-14(13(12)15)17-8-7-16-11/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 5-bromo-N,N-dipropylquinoxalin-6-amine?
5-bromo-N,N-dipropylquinoxalin-6-amine has a molecular weight of 308.22 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dipropylquinoxalin-6-amine is sourced from PubChem (CID 112752922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).