3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one

C17H17NO2 — CID 167573270

IUPAC3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one
SMILESCOc1ccc2c(c1)C(=O)N(C)Cc1cc(C)ccc1-2
InChIInChI=1S/C17H17NO2/c1-11-4-6-14-12(8-11)10-18(2)17(19)16-9-13(20-3)5-7-15(14)16/h4-9H,10H2,1-3H3
InChIKeyMFDBSZSILLUZEZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.26
Rot. Bonds1

About 3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one

3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one (PubChem CID 167573270) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one.

Molecular Properties

Compound Name3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one
PubChem CID167573270
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one
SMILESCOc1ccc2c(c1)C(=O)N(C)Cc1cc(C)ccc1-2
InChIInChI=1S/C17H17NO2/c1-11-4-6-14-12(8-11)10-18(2)17(19)16-9-13(20-3)5-7-15(14)16/h4-9H,10H2,1-3H3
InChIKeyMFDBSZSILLUZEZ-UHFFFAOYSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one?
The IUPAC name of 3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one (CID 167573270) is 3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one.
What is the SMILES notation for 3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one?
The canonical SMILES for 3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one is COc1ccc2c(c1)C(=O)N(C)Cc1cc(C)ccc1-2.
What is the InChIKey of 3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one?
The InChIKey is MFDBSZSILLUZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-4-6-14-12(8-11)10-18(2)17(19)16-9-13(20-3)5-7-15(14)16/h4-9H,10H2,1-3H3.
What are the key properties of 3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one?
3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one has a molecular weight of 267.33 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one is sourced from PubChem (CID 167573270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).