6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione

C22H15NO3 — CID 766014

IUPAC6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione
SMILESCC(=O)c1cccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1
InChIInChI=1S/C22H15NO3/c1-14(24)15-7-6-8-16(13-15)23-21(25)19-11-4-2-9-17(19)18-10-3-5-12-20(18)22(23)26/h2-13H,1H3
InChIKeyFEFMLQRFASSLKA-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.71
Rot. Bonds2

About 6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione

6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione (PubChem CID 766014) has the molecular formula C22H15NO3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione.

Molecular Properties

Compound Name6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione
PubChem CID766014
Molecular FormulaC22H15NO3
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Name6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione
SMILESCC(=O)c1cccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1
InChIInChI=1S/C22H15NO3/c1-14(24)15-7-6-8-16(13-15)23-21(25)19-11-4-2-9-17(19)18-10-3-5-12-20(18)22(23)26/h2-13H,1H3
InChIKeyFEFMLQRFASSLKA-UHFFFAOYSA-N
XLogP3.71
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione?
The IUPAC name of 6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione (CID 766014) is 6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione.
What is the SMILES notation for 6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione?
The canonical SMILES for 6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione is CC(=O)c1cccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1.
What is the InChIKey of 6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione?
The InChIKey is FEFMLQRFASSLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO3/c1-14(24)15-7-6-8-16(13-15)23-21(25)19-11-4-2-9-17(19)18-10-3-5-12-20(18)22(23)26/h2-13H,1H3.
What are the key properties of 6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione?
6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione has a molecular weight of 341.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione is sourced from PubChem (CID 766014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).