3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine

C24H17BrN4S — CID 143442928

IUPAC3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine
SMILESBrc1ccc(SNc2nc3ccccc3nc2Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H17BrN4S/c25-18-10-13-20(14-11-18)30-29-24-23(27-21-7-3-4-8-22(21)28-24)26-19-12-9-16-5-1-2-6-17(16)15-19/h1-15H,(H,26,27)(H,28,29)
InChIKeyNBPOSNWHYPHCDH-UHFFFAOYSA-N
MW473.40 g/mol
LogP7.41
Rot. Bonds5

About 3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine

3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine (PubChem CID 143442928) has the molecular formula C24H17BrN4S and a molecular weight of 473.40 g/mol. Its IUPAC name is 3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine
PubChem CID143442928
Molecular FormulaC24H17BrN4S
Molecular Weight473.40 g/mol
Exact Mass472.04
IUPAC Name3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine
SMILESBrc1ccc(SNc2nc3ccccc3nc2Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H17BrN4S/c25-18-10-13-20(14-11-18)30-29-24-23(27-21-7-3-4-8-22(21)28-24)26-19-12-9-16-5-1-2-6-17(16)15-19/h1-15H,(H,26,27)(H,28,29)
InChIKeyNBPOSNWHYPHCDH-UHFFFAOYSA-N
XLogP7.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.40
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-[(4-bromophenyl)sulfanylamino]quinoxalin-2-yl]amino]phenol
CID 143442942
2-N-(4-anilinophenyl)-3-N-phenylsulfanylquinoxaline-2,3-diamine
CID 143442867
3-[[3-(phenylsulfanylamino)quinoxalin-2-yl]amino]phenol
CID 143443019
2-N-(3,5-dimethoxyphenyl)-3-N-[4-(trifluoromethyl)phenyl]sulfanylquinoxaline-2,3-diamine
CID 143628600
4-[[3-[(4-chlorophenyl)sulfanylamino]quinoxalin-2-yl]amino]benzaldehyde
CID 145495864
2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine
CID 177346628
4-[[3-[(4-acetamidophenyl)sulfanylamino]quinoxalin-2-yl]amino]-2-hydroxybenzoic acid
CID 145495805
6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 156573110
N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine
CID 70163412
2-[[4-[[3-(phenylsulfanylamino)quinoxalin-2-yl]amino]benzoyl]amino]acetic acid
CID 123481275
4-chloro-N-[3-(naphthalen-2-ylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1050498
N-pentacen-2-ylpentacen-2-amine
CID 91227915

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine?
The IUPAC name of 3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine (CID 143442928) is 3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine is Brc1ccc(SNc2nc3ccccc3nc2Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine?
The InChIKey is NBPOSNWHYPHCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN4S/c25-18-10-13-20(14-11-18)30-29-24-23(27-21-7-3-4-8-22(21)28-24)26-19-12-9-16-5-1-2-6-17(16)15-19/h1-15H,(H,26,27)(H,28,29).
What are the key properties of 3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine?
3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine has a molecular weight of 473.40 g/mol, XLogP of 7.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-bromophenyl)sulfanyl-2-N-naphthalen-2-ylquinoxaline-2,3-diamine is sourced from PubChem (CID 143442928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).