pyrido[2,3-h][3]benzazepin-2-one

C13H8N2O — CID 154245543

IUPACpyrido[2,3-h][3]benzazepin-2-one
SMILESO=c1ccc2cc3ccnccc3cc2n1
InChIInChI=1S/C13H8N2O/c16-13-2-1-11-7-9-3-5-14-6-4-10(9)8-12(11)15-13/h1-8H
InChIKeyMGCZLILQAKRFEA-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.14
Rot. Bonds

About pyrido[2,3-h][3]benzazepin-2-one

pyrido[2,3-h][3]benzazepin-2-one (PubChem CID 154245543) has the molecular formula C13H8N2O and a molecular weight of 208.22 g/mol. Its IUPAC name is pyrido[2,3-h][3]benzazepin-2-one.

Molecular Properties

Compound Namepyrido[2,3-h][3]benzazepin-2-one
PubChem CID154245543
Molecular FormulaC13H8N2O
Molecular Weight208.22 g/mol
Exact Mass208.06
IUPAC Namepyrido[2,3-h][3]benzazepin-2-one
SMILESO=c1ccc2cc3ccnccc3cc2n1
InChIInChI=1S/C13H8N2O/c16-13-2-1-11-7-9-3-5-14-6-4-10(9)8-12(11)15-13/h1-8H
InChIKeyMGCZLILQAKRFEA-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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Related Compounds

2H-1,4-Benzodiazepin-2-one
CID 21864639
1,5-Benzodiazepin-2-one
CID 22317164
Pyrroloisoquinolone
CID 69399635
Azolo[3,4-b]pyridinone
CID 69989685
Pyrrolo[2,3-c]pyridinone
CID 70123457
Pyrroloquinolone
CID 87059017
Azepinoquinolone
CID 88172264
Pyridoazepinone
CID 129655251
Pyrrolo[2,3-g]quinolone
CID 129782230
Triazepinoquinolinone
CID 129833704
Pyrazolo[4,3-f]quinolin-7-one
CID 129860013
Pyrrolo[3,2-g]quinolin-7-one
CID 132275779

Frequently Asked Questions

What is the IUPAC name of pyrido[2,3-h][3]benzazepin-2-one?
The IUPAC name of pyrido[2,3-h][3]benzazepin-2-one (CID 154245543) is pyrido[2,3-h][3]benzazepin-2-one.
What is the SMILES notation for pyrido[2,3-h][3]benzazepin-2-one?
The canonical SMILES for pyrido[2,3-h][3]benzazepin-2-one is O=c1ccc2cc3ccnccc3cc2n1.
What is the InChIKey of pyrido[2,3-h][3]benzazepin-2-one?
The InChIKey is MGCZLILQAKRFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O/c16-13-2-1-11-7-9-3-5-14-6-4-10(9)8-12(11)15-13/h1-8H.
What are the key properties of pyrido[2,3-h][3]benzazepin-2-one?
pyrido[2,3-h][3]benzazepin-2-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-h][3]benzazepin-2-one is sourced from PubChem (CID 154245543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).