2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine

C20H12Br4N4 — CID 177346628

IUPAC2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine
SMILESBrc1cc(Br)cc(Nc2nc3ccccc3nc2Nc2cc(Br)cc(Br)c2)c1
InChIInChI=1S/C20H12Br4N4/c21-11-5-12(22)8-15(7-11)25-19-20(26-16-9-13(23)6-14(24)10-16)28-18-4-2-1-3-17(18)27-19/h1-10H,(H,25,27)(H,26,28)
InChIKeyDVCSYOKSLDWISA-UHFFFAOYSA-N
MW627.96 g/mol
LogP8.17
Rot. Bonds4

About 2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine

2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine (PubChem CID 177346628) has the molecular formula C20H12Br4N4 and a molecular weight of 627.96 g/mol. Its IUPAC name is 2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine
PubChem CID177346628
Molecular FormulaC20H12Br4N4
Molecular Weight627.96 g/mol
Exact Mass623.78
IUPAC Name2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine
SMILESBrc1cc(Br)cc(Nc2nc3ccccc3nc2Nc2cc(Br)cc(Br)c2)c1
InChIInChI=1S/C20H12Br4N4/c21-11-5-12(22)8-15(7-11)25-19-20(26-16-9-13(23)6-14(24)10-16)28-18-4-2-1-3-17(18)27-19/h1-10H,(H,25,27)(H,26,28)
InChIKeyDVCSYOKSLDWISA-UHFFFAOYSA-N
XLogP8.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.96
LogP ≤ 58.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine
CID 177346625
4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25047150
3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine
CID 143442928
7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine
CID 1111682
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
N-[3-(3-bromoanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 2010811
3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine
CID 102986610
4-[[3-[(4-bromophenyl)sulfanylamino]quinoxalin-2-yl]amino]phenol
CID 143442942
4-bromobenzenethiol;3-N-phenylquinoxaline-2,3-diamine
CID 145495804
N-[3-(4-bromoanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1383319
N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 15989749
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide
CID 1400516

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine (CID 177346628) is 2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine is Brc1cc(Br)cc(Nc2nc3ccccc3nc2Nc2cc(Br)cc(Br)c2)c1.
What is the InChIKey of 2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine?
The InChIKey is DVCSYOKSLDWISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br4N4/c21-11-5-12(22)8-15(7-11)25-19-20(26-16-9-13(23)6-14(24)10-16)28-18-4-2-1-3-17(18)27-19/h1-10H,(H,25,27)(H,26,28).
What are the key properties of 2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine?
2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine has a molecular weight of 627.96 g/mol, XLogP of 8.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 177346628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).