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

C19H15N3O6 — CID 6096807

IUPAC7-[(2,3-dimethoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
SMILESCOc1cccc(Cn2c(=O)c3c(=O)c4[nH]cc[nH]c4c(=O)c3c2=O)c1OC
InChIInChI=1S/C19H15N3O6/c1-27-10-5-3-4-9(17(10)28-2)8-22-18(25)11-12(19(22)26)16(24)14-13(15(11)23)20-6-7-21-14/h3-7,20-21H,8H2,1-2H3
InChIKeyQWEAKMNYXORKGC-UHFFFAOYSA-N
MW381.34 g/mol
LogP0.39
Rot. Bonds4

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

7-[(2,3-dimethoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone (PubChem CID 6096807) has the molecular formula C19H15N3O6 and a molecular weight of 381.34 g/mol. Its IUPAC name is 7-[(2,3-dimethoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone.

Molecular Properties

Compound Name7-[(2,3-dimethoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
PubChem CID6096807
Molecular FormulaC19H15N3O6
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name7-[(2,3-dimethoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
SMILESCOc1cccc(Cn2c(=O)c3c(=O)c4[nH]cc[nH]c4c(=O)c3c2=O)c1OC
InChIInChI=1S/C19H15N3O6/c1-27-10-5-3-4-9(17(10)28-2)8-22-18(25)11-12(19(22)26)16(24)14-13(15(11)23)20-6-7-21-14/h3-7,20-21H,8H2,1-2H3
InChIKeyQWEAKMNYXORKGC-UHFFFAOYSA-N
XLogP0.39
TPSA123.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-dimethoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone?
The IUPAC name of 7-[(2,3-dimethoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone (CID 6096807) is 7-[(2,3-dimethoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone.
What is the SMILES notation for 7-[(2,3-dimethoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone?
The canonical SMILES for 7-[(2,3-dimethoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone is COc1cccc(Cn2c(=O)c3c(=O)c4[nH]cc[nH]c4c(=O)c3c2=O)c1OC.
What is the InChIKey of 7-[(2,3-dimethoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone?
The InChIKey is QWEAKMNYXORKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O6/c1-27-10-5-3-4-9(17(10)28-2)8-22-18(25)11-12(19(22)26)16(24)14-13(15(11)23)20-6-7-21-14/h3-7,20-21H,8H2,1-2H3.
What are the key properties of 7-[(2,3-dimethoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone?
7-[(2,3-dimethoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone has a molecular weight of 381.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-dimethoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone is sourced from PubChem (CID 6096807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).