6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione

C21H15NO3 — CID 591025

IUPAC6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione
SMILESCOc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1
InChIInChI=1S/C21H15NO3/c1-25-15-12-10-14(11-13-15)22-20(23)18-8-4-2-6-16(18)17-7-3-5-9-19(17)21(22)24/h2-13H,1H3
InChIKeyZFELDPJRRGWNGH-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.51
Rot. Bonds2

About 6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione

6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione (PubChem CID 591025) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione.

Molecular Properties

Compound Name6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione
PubChem CID591025
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione
SMILESCOc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1
InChIInChI=1S/C21H15NO3/c1-25-15-12-10-14(11-13-15)22-20(23)18-8-4-2-6-16(18)17-7-3-5-9-19(17)21(22)24/h2-13H,1H3
InChIKeyZFELDPJRRGWNGH-UHFFFAOYSA-N
XLogP3.51
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione?
The IUPAC name of 6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione (CID 591025) is 6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione.
What is the SMILES notation for 6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione?
The canonical SMILES for 6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione is COc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione?
The InChIKey is ZFELDPJRRGWNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c1-25-15-12-10-14(11-13-15)22-20(23)18-8-4-2-6-16(18)17-7-3-5-9-19(17)21(22)24/h2-13H,1H3.
What are the key properties of 6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione?
6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione has a molecular weight of 329.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione is sourced from PubChem (CID 591025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).