7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone

C18H13N3O5 — CID 6096804

IUPAC7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
SMILESCOc1ccccc1Cn1c(=O)c2c(=O)c3[nH]cc[nH]c3c(=O)c2c1=O
InChIInChI=1S/C18H13N3O5/c1-26-10-5-3-2-4-9(10)8-21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-6-7-20-14/h2-7,19-20H,8H2,1H3
InChIKeyMIQNXGMQXROGMS-UHFFFAOYSA-N
MW351.32 g/mol
LogP0.39
Rot. Bonds3

About 7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone

7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone (PubChem CID 6096804) has the molecular formula C18H13N3O5 and a molecular weight of 351.32 g/mol. Its IUPAC name is 7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone.

Molecular Properties

Compound Name7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
PubChem CID6096804
Molecular FormulaC18H13N3O5
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC Name7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
SMILESCOc1ccccc1Cn1c(=O)c2c(=O)c3[nH]cc[nH]c3c(=O)c2c1=O
InChIInChI=1S/C18H13N3O5/c1-26-10-5-3-2-4-9(10)8-21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-6-7-20-14/h2-7,19-20H,8H2,1H3
InChIKeyMIQNXGMQXROGMS-UHFFFAOYSA-N
XLogP0.39
TPSA114.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone?
The IUPAC name of 7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone (CID 6096804) is 7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone.
What is the SMILES notation for 7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone?
The canonical SMILES for 7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone is COc1ccccc1Cn1c(=O)c2c(=O)c3[nH]cc[nH]c3c(=O)c2c1=O.
What is the InChIKey of 7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone?
The InChIKey is MIQNXGMQXROGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O5/c1-26-10-5-3-2-4-9(10)8-21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-6-7-20-14/h2-7,19-20H,8H2,1H3.
What are the key properties of 7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone?
7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone has a molecular weight of 351.32 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone is sourced from PubChem (CID 6096804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).