2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one

C20H16BrN3O — CID 56689917

IUPAC2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one
SMILESCCn1c(=O)c(-c2cc(Br)ccc2N)nc2cc3ccccc3cc21
InChIInChI=1S/C20H16BrN3O/c1-2-24-18-10-13-6-4-3-5-12(13)9-17(18)23-19(20(24)25)15-11-14(21)7-8-16(15)22/h3-11H,2,22H2,1H3
InChIKeyFMNNHCJUXLPOPD-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.58
Rot. Bonds2

About 2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one

2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one (PubChem CID 56689917) has the molecular formula C20H16BrN3O and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one
PubChem CID56689917
Molecular FormulaC20H16BrN3O
Molecular Weight394.27 g/mol
Exact Mass393.05
IUPAC Name2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one
SMILESCCn1c(=O)c(-c2cc(Br)ccc2N)nc2cc3ccccc3cc21
InChIInChI=1S/C20H16BrN3O/c1-2-24-18-10-13-6-4-3-5-12(13)9-17(18)23-19(20(24)25)15-11-14(21)7-8-16(15)22/h3-11H,2,22H2,1H3
InChIKeyFMNNHCJUXLPOPD-UHFFFAOYSA-N
XLogP4.58
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one?
The IUPAC name of 2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one (CID 56689917) is 2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one?
The canonical SMILES for 2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one is CCn1c(=O)c(-c2cc(Br)ccc2N)nc2cc3ccccc3cc21.
What is the InChIKey of 2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one?
The InChIKey is FMNNHCJUXLPOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O/c1-2-24-18-10-13-6-4-3-5-12(13)9-17(18)23-19(20(24)25)15-11-14(21)7-8-16(15)22/h3-11H,2,22H2,1H3.
What are the key properties of 2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one?
2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one has a molecular weight of 394.27 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one is sourced from PubChem (CID 56689917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).