4-(6-bromoquinoxalin-2-yl)-N,N-dimethylaniline

C16H14BrN3 — CID 53358776

IUPAC4-(6-bromoquinoxalin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc3cc(Br)ccc3n2)cc1
InChIInChI=1S/C16H14BrN3/c1-20(2)13-6-3-11(4-7-13)16-10-18-15-9-12(17)5-8-14(15)19-16/h3-10H,1-2H3
InChIKeyCJVKJJWOMGSTOK-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.13
Rot. Bonds2

About 4-(6-bromoquinoxalin-2-yl)-N,N-dimethylaniline

4-(6-bromoquinoxalin-2-yl)-N,N-dimethylaniline (PubChem CID 53358776) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 4-(6-bromoquinoxalin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(6-bromoquinoxalin-2-yl)-N,N-dimethylaniline
PubChem CID53358776
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name4-(6-bromoquinoxalin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc3cc(Br)ccc3n2)cc1
InChIInChI=1S/C16H14BrN3/c1-20(2)13-6-3-11(4-7-13)16-10-18-15-9-12(17)5-8-14(15)19-16/h3-10H,1-2H3
InChIKeyCJVKJJWOMGSTOK-UHFFFAOYSA-N
XLogP4.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methylquinoxaline
CID 242567
1,10-Phenanthroline, 5-bromo-
CID 148335
AG1295
CID 2048
4-(Quinoxalin-2-yl)aniline
CID 761862
5-Bromoquinolin-8-amine hydrochloride
CID 16192748
2-Phenylquinoxaline
CID 78725
5-Bromoquinoxaline
CID 610437
2-(4-Bromophenyl)quinoxaline
CID 762079
5-Bromo-quinolin-8-ylamine
CID 613829
4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline
CID 56662848
1-Benzyl-3-bromoquinolin-1-ium bromide
CID 24892266
8-Quinolinamine, 6-bromo-
CID 93637

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoquinoxalin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(6-bromoquinoxalin-2-yl)-N,N-dimethylaniline (CID 53358776) is 4-(6-bromoquinoxalin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(6-bromoquinoxalin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(6-bromoquinoxalin-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2cnc3cc(Br)ccc3n2)cc1.
What is the InChIKey of 4-(6-bromoquinoxalin-2-yl)-N,N-dimethylaniline?
The InChIKey is CJVKJJWOMGSTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-20(2)13-6-3-11(4-7-13)16-10-18-15-9-12(17)5-8-14(15)19-16/h3-10H,1-2H3.
What are the key properties of 4-(6-bromoquinoxalin-2-yl)-N,N-dimethylaniline?
4-(6-bromoquinoxalin-2-yl)-N,N-dimethylaniline has a molecular weight of 328.21 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoquinoxalin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 53358776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).