1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione

C19H16N2O3 — CID 113208442

IUPAC1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione
SMILESCOc1ccc2[nH]cc(C(=O)C(=O)N3CCc4ccccc43)c2c1
InChIInChI=1S/C19H16N2O3/c1-24-13-6-7-16-14(10-13)15(11-20-16)18(22)19(23)21-9-8-12-4-2-3-5-17(12)21/h2-7,10-11,20H,8-9H2,1H3
InChIKeyCKZACZAAYVFSLM-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.95
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione

1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione (PubChem CID 113208442) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione
PubChem CID113208442
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione
SMILESCOc1ccc2[nH]cc(C(=O)C(=O)N3CCc4ccccc43)c2c1
InChIInChI=1S/C19H16N2O3/c1-24-13-6-7-16-14(10-13)15(11-20-16)18(22)19(23)21-9-8-12-4-2-3-5-17(12)21/h2-7,10-11,20H,8-9H2,1H3
InChIKeyCKZACZAAYVFSLM-UHFFFAOYSA-N
XLogP2.95
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(5-methoxy-1H-indol-3-yl)methanone
CID 113206041
1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110856984
1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione
CID 113208523
1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 45267643
3,4-dihydro-2H-quinolin-1-yl-(6-methoxy-1H-indol-3-yl)methanone
CID 113206601
1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione
CID 45271900
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione
CID 113208636
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 113208410
2,3-dihydroindol-1-yl-(6-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 110856980
2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502677
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione (CID 113208442) is 1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione is COc1ccc2[nH]cc(C(=O)C(=O)N3CCc4ccccc43)c2c1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione?
The InChIKey is CKZACZAAYVFSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-24-13-6-7-16-14(10-13)15(11-20-16)18(22)19(23)21-9-8-12-4-2-3-5-17(12)21/h2-7,10-11,20H,8-9H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione?
1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione has a molecular weight of 320.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 113208442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).