6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione

C17H11N3O3 — CID 15417894

IUPAC6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione
SMILESCOc1ccc2nc3c(nc2c1)C(=O)N(c1ccccc1)C3=O
InChIInChI=1S/C17H11N3O3/c1-23-11-7-8-12-13(9-11)19-15-14(18-12)16(21)20(17(15)22)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeySCPWORHWTVNUIP-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.44
Rot. Bonds2

About 6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione

6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione (PubChem CID 15417894) has the molecular formula C17H11N3O3 and a molecular weight of 305.29 g/mol. Its IUPAC name is 6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione.

Molecular Properties

Compound Name6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione
PubChem CID15417894
Molecular FormulaC17H11N3O3
Molecular Weight305.29 g/mol
Exact Mass305.08
IUPAC Name6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione
SMILESCOc1ccc2nc3c(nc2c1)C(=O)N(c1ccccc1)C3=O
InChIInChI=1S/C17H11N3O3/c1-23-11-7-8-12-13(9-11)19-15-14(18-12)16(21)20(17(15)22)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeySCPWORHWTVNUIP-UHFFFAOYSA-N
XLogP2.44
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-3-methyl-2-phenylquinoxaline
CID 15500862
6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 100925756
5-methoxycyclobuta[b]quinoxaline-1,2-diol
CID 146025256
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione
CID 736902
2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione
CID 168516695
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
5-[(2,4-dimethoxyphenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 1047652
3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole
CID 101405033
6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione
CID 132542480
6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione
CID 71819080

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione?
The IUPAC name of 6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione (CID 15417894) is 6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione.
What is the SMILES notation for 6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione?
The canonical SMILES for 6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione is COc1ccc2nc3c(nc2c1)C(=O)N(c1ccccc1)C3=O.
What is the InChIKey of 6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione?
The InChIKey is SCPWORHWTVNUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3/c1-23-11-7-8-12-13(9-11)19-15-14(18-12)16(21)20(17(15)22)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione?
6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione has a molecular weight of 305.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione is sourced from PubChem (CID 15417894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).