1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine

C21H17BrN4O — CID 141464346

IUPAC1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine
SMILESCOc1ccc2nc(-c3ccccc3)c(NNc3ccc(Br)cc3)nc2c1
InChIInChI=1S/C21H17BrN4O/c1-27-17-11-12-18-19(13-17)24-21(20(23-18)14-5-3-2-4-6-14)26-25-16-9-7-15(22)8-10-16/h2-13,25H,1H3,(H,24,26)
InChIKeyJPAPFSOIOHONMV-UHFFFAOYSA-N
MW421.30 g/mol
LogP5.51
Rot. Bonds5

About 1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine

1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine (PubChem CID 141464346) has the molecular formula C21H17BrN4O and a molecular weight of 421.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine
PubChem CID141464346
Molecular FormulaC21H17BrN4O
Molecular Weight421.30 g/mol
Exact Mass420.06
IUPAC Name1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine
SMILESCOc1ccc2nc(-c3ccccc3)c(NNc3ccc(Br)cc3)nc2c1
InChIInChI=1S/C21H17BrN4O/c1-27-17-11-12-18-19(13-17)24-21(20(23-18)14-5-3-2-4-6-14)26-25-16-9-7-15(22)8-10-16/h2-13,25H,1H3,(H,24,26)
InChIKeyJPAPFSOIOHONMV-UHFFFAOYSA-N
XLogP5.51
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.30
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine?
The IUPAC name of 1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine (CID 141464346) is 1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine.
What is the SMILES notation for 1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine?
The canonical SMILES for 1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine is COc1ccc2nc(-c3ccccc3)c(NNc3ccc(Br)cc3)nc2c1.
What is the InChIKey of 1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine?
The InChIKey is JPAPFSOIOHONMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O/c1-27-17-11-12-18-19(13-17)24-21(20(23-18)14-5-3-2-4-6-14)26-25-16-9-7-15(22)8-10-16/h2-13,25H,1H3,(H,24,26).
What are the key properties of 1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine?
1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine has a molecular weight of 421.30 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(7-methoxy-3-phenylquinoxalin-2-yl)hydrazine is sourced from PubChem (CID 141464346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).