5-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione

C24H21NO5 — CID 141372267

IUPAC5-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
SMILESCOc1ccc(CN2C(=O)C(=O)c3cc(-c4cc(OC)cc(OC)c4)ccc32)cc1
InChIInChI=1S/C24H21NO5/c1-28-18-7-4-15(5-8-18)14-25-22-9-6-16(12-21(22)23(26)24(25)27)17-10-19(29-2)13-20(11-17)30-3/h4-13H,14H2,1-3H3
InChIKeyQRSNDCACCYSIAL-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.11
Rot. Bonds6

About 5-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione

5-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione (PubChem CID 141372267) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
PubChem CID141372267
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name5-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
SMILESCOc1ccc(CN2C(=O)C(=O)c3cc(-c4cc(OC)cc(OC)c4)ccc32)cc1
InChIInChI=1S/C24H21NO5/c1-28-18-7-4-15(5-8-18)14-25-22-9-6-16(12-21(22)23(26)24(25)27)17-10-19(29-2)13-20(11-17)30-3/h4-13H,14H2,1-3H3
InChIKeyQRSNDCACCYSIAL-UHFFFAOYSA-N
XLogP4.11
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione (CID 141372267) is 5-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione is COc1ccc(CN2C(=O)C(=O)c3cc(-c4cc(OC)cc(OC)c4)ccc32)cc1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione?
The InChIKey is QRSNDCACCYSIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-28-18-7-4-15(5-8-18)14-25-22-9-6-16(12-21(22)23(26)24(25)27)17-10-19(29-2)13-20(11-17)30-3/h4-13H,14H2,1-3H3.
What are the key properties of 5-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione?
5-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione has a molecular weight of 403.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 141372267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).