azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate

C17H19Br2ClN6O — CID 160876314

IUPACazane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate
SMILESC.Clc1cnc2ccc(Br)cc2n1.N.Nc1cnc2ccc(Br)cc2n1.O
InChIInChI=1S/C8H4BrClN2.C8H6BrN3.CH4.H3N.H2O/c2*9-5-1-2-6-7(3-5)12-8(10)4-11-6;;;/h1-4H;1-4H,(H2,10,12);1H4;1H3;1H2
InChIKeyWWURDQMBOVAHPB-UHFFFAOYSA-N
MW518.64 g/mol
LogP4.99
Rot. Bonds

About azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate

azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate (PubChem CID 160876314) has the molecular formula C17H19Br2ClN6O and a molecular weight of 518.64 g/mol. Its IUPAC name is azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate.

Molecular Properties

Compound Nameazane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate
PubChem CID160876314
Molecular FormulaC17H19Br2ClN6O
Molecular Weight518.64 g/mol
Exact Mass515.97
IUPAC Nameazane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate
SMILESC.Clc1cnc2ccc(Br)cc2n1.N.Nc1cnc2ccc(Br)cc2n1.O
InChIInChI=1S/C8H4BrClN2.C8H6BrN3.CH4.H3N.H2O/c2*9-5-1-2-6-7(3-5)12-8(10)4-11-6;;;/h1-4H;1-4H,(H2,10,12);1H4;1H3;1H2
InChIKeyWWURDQMBOVAHPB-UHFFFAOYSA-N
XLogP4.99
TPSA144.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.64
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-dibromoquinoxaline
CID 827486
azane;quinoxalin-2-amine
CID 172829613
7-(trifluoromethyl)quinoxalin-2-amine
CID 21313066
2-bromo-8-chlorophenazine
CID 119028483
6-bromo-4-chloroquinolin-2-amine
CID 154853425
7-bromo-2-prop-1-en-2-ylquinoxaline
CID 67476107
7-pyridin-4-ylquinoxalin-2-amine
CID 144942559
6-bromo-3-chlorocinnoline
CID 163198532
4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol
CID 70477859
5-bromo-2-chloro-6-fluoroquinoxaline
CID 154728845
7-bromo-2-chloroquinoline;2-methylpropan-2-amine
CID 135311981
2-chloro-1,6-naphthyridin-7-amine
CID 138605042

Frequently Asked Questions

What is the IUPAC name of azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate?
The IUPAC name of azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate (CID 160876314) is azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate.
What is the SMILES notation for azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate?
The canonical SMILES for azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate is C.Clc1cnc2ccc(Br)cc2n1.N.Nc1cnc2ccc(Br)cc2n1.O.
What is the InChIKey of azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate?
The InChIKey is WWURDQMBOVAHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2.C8H6BrN3.CH4.H3N.H2O/c2*9-5-1-2-6-7(3-5)12-8(10)4-11-6;;;/h1-4H;1-4H,(H2,10,12);1H4;1H3;1H2.
What are the key properties of azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate?
azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate has a molecular weight of 518.64 g/mol, XLogP of 4.99, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate is sourced from PubChem (CID 160876314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).