2,3-dimethoxy-8,9-dimethyl-6,11-dihydrobenzo[b][1]benzazepin-5-one

C18H19NO3 — CID 102152018

IUPAC2,3-dimethoxy-8,9-dimethyl-6,11-dihydrobenzo[b][1]benzazepin-5-one
SMILESCOc1cc2c(cc1OC)C(=O)Cc1cc(C)c(C)cc1N2
InChIInChI=1S/C18H19NO3/c1-10-5-12-7-16(20)13-8-17(21-3)18(22-4)9-15(13)19-14(12)6-11(10)2/h5-6,8-9,19H,7H2,1-4H3
InChIKeyJBGKGDXPMUZCCZ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.80
Rot. Bonds2

About 2,3-dimethoxy-8,9-dimethyl-6,11-dihydrobenzo[b][1]benzazepin-5-one

2,3-dimethoxy-8,9-dimethyl-6,11-dihydrobenzo[b][1]benzazepin-5-one (PubChem CID 102152018) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2,3-dimethoxy-8,9-dimethyl-6,11-dihydrobenzo[b][1]benzazepin-5-one.

Molecular Properties

Compound Name2,3-dimethoxy-8,9-dimethyl-6,11-dihydrobenzo[b][1]benzazepin-5-one
PubChem CID102152018
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2,3-dimethoxy-8,9-dimethyl-6,11-dihydrobenzo[b][1]benzazepin-5-one
SMILESCOc1cc2c(cc1OC)C(=O)Cc1cc(C)c(C)cc1N2
InChIInChI=1S/C18H19NO3/c1-10-5-12-7-16(20)13-8-17(21-3)18(22-4)9-15(13)19-14(12)6-11(10)2/h5-6,8-9,19H,7H2,1-4H3
InChIKeyJBGKGDXPMUZCCZ-UHFFFAOYSA-N
XLogP3.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-8,9-dimethyl-6,11-dihydrobenzo[b][1]benzazepin-5-one?
The IUPAC name of 2,3-dimethoxy-8,9-dimethyl-6,11-dihydrobenzo[b][1]benzazepin-5-one (CID 102152018) is 2,3-dimethoxy-8,9-dimethyl-6,11-dihydrobenzo[b][1]benzazepin-5-one.
What is the SMILES notation for 2,3-dimethoxy-8,9-dimethyl-6,11-dihydrobenzo[b][1]benzazepin-5-one?
The canonical SMILES for 2,3-dimethoxy-8,9-dimethyl-6,11-dihydrobenzo[b][1]benzazepin-5-one is COc1cc2c(cc1OC)C(=O)Cc1cc(C)c(C)cc1N2.
What is the InChIKey of 2,3-dimethoxy-8,9-dimethyl-6,11-dihydrobenzo[b][1]benzazepin-5-one?
The InChIKey is JBGKGDXPMUZCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-10-5-12-7-16(20)13-8-17(21-3)18(22-4)9-15(13)19-14(12)6-11(10)2/h5-6,8-9,19H,7H2,1-4H3.
What are the key properties of 2,3-dimethoxy-8,9-dimethyl-6,11-dihydrobenzo[b][1]benzazepin-5-one?
2,3-dimethoxy-8,9-dimethyl-6,11-dihydrobenzo[b][1]benzazepin-5-one has a molecular weight of 297.35 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-8,9-dimethyl-6,11-dihydrobenzo[b][1]benzazepin-5-one is sourced from PubChem (CID 102152018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).