2-[(4-bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline

C23H19BrN2 — CID 139225980

IUPAC2-[(4-bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline
SMILESCc1cc2nc(Cc3ccc(Br)cc3)c(-c3ccccc3)nc2cc1C
InChIInChI=1S/C23H19BrN2/c1-15-12-20-21(13-16(15)2)26-23(18-6-4-3-5-7-18)22(25-20)14-17-8-10-19(24)11-9-17/h3-13H,14H2,1-2H3
InChIKeyIUOSDRZLTJFOSB-UHFFFAOYSA-N
MW403.32 g/mol
LogP6.27
Rot. Bonds3

About 2-[(4-bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline

2-[(4-bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline (PubChem CID 139225980) has the molecular formula C23H19BrN2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline
PubChem CID139225980
Molecular FormulaC23H19BrN2
Molecular Weight403.32 g/mol
Exact Mass402.07
IUPAC Name2-[(4-bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline
SMILESCc1cc2nc(Cc3ccc(Br)cc3)c(-c3ccccc3)nc2cc1C
InChIInChI=1S/C23H19BrN2/c1-15-12-20-21(13-16(15)2)26-23(18-6-4-3-5-7-18)22(25-20)14-17-8-10-19(24)11-9-17/h3-13H,14H2,1-2H3
InChIKeyIUOSDRZLTJFOSB-UHFFFAOYSA-N
XLogP6.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.32
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Methylphenyl)-3-phenylquinoxaline
CID 2295348
2,3-Diphenylquinoxaline
CID 74311
2,3,6,7-Tetramethylquinoxaline
CID 248749
6-Methyl-2,3-diphenylquinoxaline
CID 1552015
6,7-Dimethyl-2,3-diphenylquinoxaline
CID 254079
2,3-Diphenyl-5,6-benzoquinoxaline
CID 294541
2-(4-Bromophenyl)quinoxaline
CID 762079
7,8-Dimethyl-1,2,3,4-tetrahydrophenazine
CID 2813351
Benzo(B)Phenazine
CID 96896
2,3-bis[(E)-2-phenylethenyl]quinoxaline
CID 5344341
5,8-Dibromo-2,3-diphenylquinoxaline
CID 22475901
7-Methyl-1,2,3,4-dibenzophenazine
CID 294851

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline?
The IUPAC name of 2-[(4-bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline (CID 139225980) is 2-[(4-bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline is Cc1cc2nc(Cc3ccc(Br)cc3)c(-c3ccccc3)nc2cc1C.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline?
The InChIKey is IUOSDRZLTJFOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2/c1-15-12-20-21(13-16(15)2)26-23(18-6-4-3-5-7-18)22(25-20)14-17-8-10-19(24)11-9-17/h3-13H,14H2,1-2H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline?
2-[(4-bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline has a molecular weight of 403.32 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline is sourced from PubChem (CID 139225980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).