3-(4-methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione

C17H12N2O3 — CID 45482951

IUPAC3-(4-methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione
SMILESCOc1ccc(C2C=NC3=C2C(=O)c2cc[nH]c2C3=O)cc1
InChIInChI=1S/C17H12N2O3/c1-22-10-4-2-9(3-5-10)12-8-19-15-13(12)16(20)11-6-7-18-14(11)17(15)21/h2-8,12,18H,1H3
InChIKeyGRQLFFMZGBGROO-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.52
Rot. Bonds2

About 3-(4-methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione

3-(4-methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione (PubChem CID 45482951) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione
PubChem CID45482951
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name3-(4-methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione
SMILESCOc1ccc(C2C=NC3=C2C(=O)c2cc[nH]c2C3=O)cc1
InChIInChI=1S/C17H12N2O3/c1-22-10-4-2-9(3-5-10)12-8-19-15-13(12)16(20)11-6-7-18-14(11)17(15)21/h2-8,12,18H,1H3
InChIKeyGRQLFFMZGBGROO-UHFFFAOYSA-N
XLogP2.52
TPSA71.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-(4-methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione?
The IUPAC name of 3-(4-methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione (CID 45482951) is 3-(4-methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione is COc1ccc(C2C=NC3=C2C(=O)c2cc[nH]c2C3=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione?
The InChIKey is GRQLFFMZGBGROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c1-22-10-4-2-9(3-5-10)12-8-19-15-13(12)16(20)11-6-7-18-14(11)17(15)21/h2-8,12,18H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione?
3-(4-methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione has a molecular weight of 292.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione is sourced from PubChem (CID 45482951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).