9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one

C23H18N4O2 — CID 54301208

IUPAC9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one
SMILESCOc1cc[nH]c1C=C1C(=O)Nc2ccc3nc(-c4ccccc4)c(C)nc3c21
InChIInChI=1S/C23H18N4O2/c1-13-21(14-6-4-3-5-7-14)26-17-9-8-16-20(22(17)25-13)15(23(28)27-16)12-18-19(29-2)10-11-24-18/h3-12,24H,1-2H3,(H,27,28)
InChIKeySEHUVIBZRZNMIU-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.43
Rot. Bonds3

About 9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one

9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one (PubChem CID 54301208) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one.

Molecular Properties

Compound Name9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one
PubChem CID54301208
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one
SMILESCOc1cc[nH]c1C=C1C(=O)Nc2ccc3nc(-c4ccccc4)c(C)nc3c21
InChIInChI=1S/C23H18N4O2/c1-13-21(14-6-4-3-5-7-14)26-17-9-8-16-20(22(17)25-13)15(23(28)27-16)12-18-19(29-2)10-11-24-18/h3-12,24H,1-2H3,(H,27,28)
InChIKeySEHUVIBZRZNMIU-UHFFFAOYSA-N
XLogP4.43
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one 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 9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one?
The IUPAC name of 9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one (CID 54301208) is 9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one.
What is the SMILES notation for 9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one?
The canonical SMILES for 9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one is COc1cc[nH]c1C=C1C(=O)Nc2ccc3nc(-c4ccccc4)c(C)nc3c21.
What is the InChIKey of 9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one?
The InChIKey is SEHUVIBZRZNMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-13-21(14-6-4-3-5-7-14)26-17-9-8-16-20(22(17)25-13)15(23(28)27-16)12-18-19(29-2)10-11-24-18/h3-12,24H,1-2H3,(H,27,28).
What are the key properties of 9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one?
9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one has a molecular weight of 382.42 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one is sourced from PubChem (CID 54301208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).