N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine

C25H18BrN3OS — CID 70163412

IUPACN-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine
SMILESCOc1ccc(Sc2nc3cc4ccccc4cc3nc2Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C25H18BrN3OS/c1-30-20-10-12-21(13-11-20)31-25-24(27-19-8-6-18(26)7-9-19)28-22-14-16-4-2-3-5-17(16)15-23(22)29-25/h2-15H,1H3,(H,27,28)
InChIKeyDGUAPJKUOKERMK-UHFFFAOYSA-N
MW488.41 g/mol
LogP7.45
Rot. Bonds5

About N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine

N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine (PubChem CID 70163412) has the molecular formula C25H18BrN3OS and a molecular weight of 488.41 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine
PubChem CID70163412
Molecular FormulaC25H18BrN3OS
Molecular Weight488.41 g/mol
Exact Mass487.04
IUPAC NameN-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine
SMILESCOc1ccc(Sc2nc3cc4ccccc4cc3nc2Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C25H18BrN3OS/c1-30-20-10-12-21(13-11-20)31-25-24(27-19-8-6-18(26)7-9-19)28-22-14-16-4-2-3-5-17(16)15-23(22)29-25/h2-15H,1H3,(H,27,28)
InChIKeyDGUAPJKUOKERMK-UHFFFAOYSA-N
XLogP7.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.41
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-3-(2-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine
CID 70166205
N-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylbenzo[g]quinoxalin-2-amine
CID 70163223
N-(4-bromophenyl)-4-[2-[4-(4-methoxyphenyl)sulfanylphenyl]ethynyl]aniline
CID 132603613
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70165713
3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine
CID 143442928
2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline
CID 2777722
1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine
CID 141464346
4-[[3-[(4-bromophenyl)sulfanylamino]quinoxalin-2-yl]amino]phenol
CID 143442942
3-(2,4-dimethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]benzo[g]quinoxalin-2-amine
CID 70163454
N-(4-bromophenyl)benzo[g]quinoxalin-3-amine
CID 70165769
6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19136592

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine?
The IUPAC name of N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine (CID 70163412) is N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine is COc1ccc(Sc2nc3cc4ccccc4cc3nc2Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine?
The InChIKey is DGUAPJKUOKERMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrN3OS/c1-30-20-10-12-21(13-11-20)31-25-24(27-19-8-6-18(26)7-9-19)28-22-14-16-4-2-3-5-17(16)15-23(22)29-25/h2-15H,1H3,(H,27,28).
What are the key properties of N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine?
N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine has a molecular weight of 488.41 g/mol, XLogP of 7.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine is sourced from PubChem (CID 70163412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).