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

C17H15NO3 — CID 4231395

IUPAC6-(2-methoxyethyl)benzo[d][2]benzazepine-5,7-dione
SMILESCOCCn1c(=O)c2ccccc2c2ccccc2c1=O
InChIInChI=1S/C17H15NO3/c1-21-11-10-18-16(19)14-8-4-2-6-12(14)13-7-3-5-9-15(13)17(18)20/h2-9H,10-11H2,1H3
InChIKeyYXMGBEAKUNTQFW-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.16
Rot. Bonds3

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

6-(2-methoxyethyl)benzo[d][2]benzazepine-5,7-dione (PubChem CID 4231395) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-(2-methoxyethyl)benzo[d][2]benzazepine-5,7-dione.

Molecular Properties

Compound Name6-(2-methoxyethyl)benzo[d][2]benzazepine-5,7-dione
PubChem CID4231395
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name6-(2-methoxyethyl)benzo[d][2]benzazepine-5,7-dione
SMILESCOCCn1c(=O)c2ccccc2c2ccccc2c1=O
InChIInChI=1S/C17H15NO3/c1-21-11-10-18-16(19)14-8-4-2-6-12(14)13-7-3-5-9-15(13)17(18)20/h2-9H,10-11H2,1H3
InChIKeyYXMGBEAKUNTQFW-UHFFFAOYSA-N
XLogP2.16
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)benzo[d][2]benzazepine-5,7-dione?
The IUPAC name of 6-(2-methoxyethyl)benzo[d][2]benzazepine-5,7-dione (CID 4231395) is 6-(2-methoxyethyl)benzo[d][2]benzazepine-5,7-dione.
What is the SMILES notation for 6-(2-methoxyethyl)benzo[d][2]benzazepine-5,7-dione?
The canonical SMILES for 6-(2-methoxyethyl)benzo[d][2]benzazepine-5,7-dione is COCCn1c(=O)c2ccccc2c2ccccc2c1=O.
What is the InChIKey of 6-(2-methoxyethyl)benzo[d][2]benzazepine-5,7-dione?
The InChIKey is YXMGBEAKUNTQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-11-10-18-16(19)14-8-4-2-6-12(14)13-7-3-5-9-15(13)17(18)20/h2-9H,10-11H2,1H3.
What are the key properties of 6-(2-methoxyethyl)benzo[d][2]benzazepine-5,7-dione?
6-(2-methoxyethyl)benzo[d][2]benzazepine-5,7-dione has a molecular weight of 281.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)benzo[d][2]benzazepine-5,7-dione is sourced from PubChem (CID 4231395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).