4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline

C19H16BrN3 — CID 102501781

IUPAC4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline
SMILESCCc1nc(C)c2c(-c3ccc(Br)cc3)nc3ccccc3n12
InChIInChI=1S/C19H16BrN3/c1-3-17-21-12(2)19-18(13-8-10-14(20)11-9-13)22-15-6-4-5-7-16(15)23(17)19/h4-11H,3H2,1-2H3
InChIKeyYHRZDTQWPNSNES-UHFFFAOYSA-N
MW366.26 g/mol
LogP5.18
Rot. Bonds2

About 4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline

4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline (PubChem CID 102501781) has the molecular formula C19H16BrN3 and a molecular weight of 366.26 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline
PubChem CID102501781
Molecular FormulaC19H16BrN3
Molecular Weight366.26 g/mol
Exact Mass365.05
IUPAC Name4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline
SMILESCCc1nc(C)c2c(-c3ccc(Br)cc3)nc3ccccc3n12
InChIInChI=1S/C19H16BrN3/c1-3-17-21-12(2)19-18(13-8-10-14(20)11-9-13)22-15-6-4-5-7-16(15)23(17)19/h4-11H,3H2,1-2H3
InChIKeyYHRZDTQWPNSNES-UHFFFAOYSA-N
XLogP5.18
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.26
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-(4-fluorophenyl)-3-methylimidazo[1,5-a]quinoxaline
CID 102501782
3,4-dimethyl-1-propylimidazo[1,5-a]quinoxaline
CID 42629095
1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline
CID 132523151
3-(4-bromophenyl)-1-methylquinoxalin-2-one
CID 132610080
4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole
CID 14245741
4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine
CID 138576331
22-[4-(2-ethylbenzimidazol-1-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475087
2-(4-bromophenyl)-1-pentylbenzimidazole
CID 17001128
5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole
CID 162513572
2-(4-bromophenyl)-1-decylbenzimidazole
CID 17001133
2-(4-bromophenyl)-1-undecylbenzimidazole
CID 17001134
2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
CID 17001122

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline?
The IUPAC name of 4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline (CID 102501781) is 4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline.
What is the SMILES notation for 4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline?
The canonical SMILES for 4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline is CCc1nc(C)c2c(-c3ccc(Br)cc3)nc3ccccc3n12.
What is the InChIKey of 4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline?
The InChIKey is YHRZDTQWPNSNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3/c1-3-17-21-12(2)19-18(13-8-10-14(20)11-9-13)22-15-6-4-5-7-16(15)23(17)19/h4-11H,3H2,1-2H3.
What are the key properties of 4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline?
4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline has a molecular weight of 366.26 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline is sourced from PubChem (CID 102501781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).