3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one

C18H16N2O5 — CID 141466063

IUPAC3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one
SMILESCOc1cc(C(=O)c2nc3ccccc3[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C18H16N2O5/c1-23-13-8-10(9-14(24-2)17(13)25-3)16(21)15-18(22)20-12-7-5-4-6-11(12)19-15/h4-9H,1-3H3,(H,20,22)
InChIKeyQGAIMOXHQRHIMN-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.18
Rot. Bonds5

About 3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one

3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one (PubChem CID 141466063) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one
PubChem CID141466063
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one
SMILESCOc1cc(C(=O)c2nc3ccccc3[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C18H16N2O5/c1-23-13-8-10(9-14(24-2)17(13)25-3)16(21)15-18(22)20-12-7-5-4-6-11(12)19-15/h4-9H,1-3H3,(H,20,22)
InChIKeyQGAIMOXHQRHIMN-UHFFFAOYSA-N
XLogP2.18
TPSA90.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one (CID 141466063) is 3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one is COc1cc(C(=O)c2nc3ccccc3[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of 3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one?
The InChIKey is QGAIMOXHQRHIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-23-13-8-10(9-14(24-2)17(13)25-3)16(21)15-18(22)20-12-7-5-4-6-11(12)19-15/h4-9H,1-3H3,(H,20,22).
What are the key properties of 3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one?
3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one has a molecular weight of 340.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 141466063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).