pyrido[2,3-d][3]benzazepin-6-one

C13H8N2O — CID 154464005

IUPACpyrido[2,3-d][3]benzazepin-6-one
SMILESO=c1cc2ccccc2c2cccnc2n1
InChIInChI=1S/C13H8N2O/c16-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)15-12/h1-8H
InChIKeyLMJHERKOYVIFNZ-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.14
Rot. Bonds

About pyrido[2,3-d][3]benzazepin-6-one

pyrido[2,3-d][3]benzazepin-6-one (PubChem CID 154464005) has the molecular formula C13H8N2O and a molecular weight of 208.22 g/mol. Its IUPAC name is pyrido[2,3-d][3]benzazepin-6-one.

Molecular Properties

Compound Namepyrido[2,3-d][3]benzazepin-6-one
PubChem CID154464005
Molecular FormulaC13H8N2O
Molecular Weight208.22 g/mol
Exact Mass208.06
IUPAC Namepyrido[2,3-d][3]benzazepin-6-one
SMILESO=c1cc2ccccc2c2cccnc2n1
InChIInChI=1S/C13H8N2O/c16-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)15-12/h1-8H
InChIKeyLMJHERKOYVIFNZ-UHFFFAOYSA-N
XLogP2.14
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrido[2,3-d][3]benzazepin-6-one?
The IUPAC name of pyrido[2,3-d][3]benzazepin-6-one (CID 154464005) is pyrido[2,3-d][3]benzazepin-6-one.
What is the SMILES notation for pyrido[2,3-d][3]benzazepin-6-one?
The canonical SMILES for pyrido[2,3-d][3]benzazepin-6-one is O=c1cc2ccccc2c2cccnc2n1.
What is the InChIKey of pyrido[2,3-d][3]benzazepin-6-one?
The InChIKey is LMJHERKOYVIFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O/c16-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)15-12/h1-8H.
What are the key properties of pyrido[2,3-d][3]benzazepin-6-one?
pyrido[2,3-d][3]benzazepin-6-one has a molecular weight of 208.22 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[2,3-d][3]benzazepin-6-one is sourced from PubChem (CID 154464005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).