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

C13H9ClN2O — CID 162321168

IUPACpyrido[2,3-h][3]benzazepin-2-one;hydrochloride
SMILESCl.O=c1ccc2cc3ccnccc3cc2n1
InChIInChI=1S/C13H8N2O.ClH/c16-13-2-1-11-7-9-3-5-14-6-4-10(9)8-12(11)15-13;/h1-8H;1H
InChIKeyFQQYPDXXCRVYSV-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.57
Rot. Bonds

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

pyrido[2,3-h][3]benzazepin-2-one;hydrochloride (PubChem CID 162321168) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is pyrido[2,3-h][3]benzazepin-2-one;hydrochloride.

Molecular Properties

Compound Namepyrido[2,3-h][3]benzazepin-2-one;hydrochloride
PubChem CID162321168
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Namepyrido[2,3-h][3]benzazepin-2-one;hydrochloride
SMILESCl.O=c1ccc2cc3ccnccc3cc2n1
InChIInChI=1S/C13H8N2O.ClH/c16-13-2-1-11-7-9-3-5-14-6-4-10(9)8-12(11)15-13;/h1-8H;1H
InChIKeyFQQYPDXXCRVYSV-UHFFFAOYSA-N
XLogP2.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Pyrrolo[2,3-c]pyridinone
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Azepinoquinolone
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Pyridoazepinone
CID 129655251
Pyrrolo[2,3-g]quinolone
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Triazepinoquinolinone
CID 129833704
Pyrrolo[3,2-g]quinolin-7-one
CID 132275779
Azoninoquinolinone
CID 138756933
Pyrrolo[3,2-f]quinolin-7-one
CID 18376415

Frequently Asked Questions

What is the IUPAC name of pyrido[2,3-h][3]benzazepin-2-one;hydrochloride?
The IUPAC name of pyrido[2,3-h][3]benzazepin-2-one;hydrochloride (CID 162321168) is pyrido[2,3-h][3]benzazepin-2-one;hydrochloride.
What is the SMILES notation for pyrido[2,3-h][3]benzazepin-2-one;hydrochloride?
The canonical SMILES for pyrido[2,3-h][3]benzazepin-2-one;hydrochloride is Cl.O=c1ccc2cc3ccnccc3cc2n1.
What is the InChIKey of pyrido[2,3-h][3]benzazepin-2-one;hydrochloride?
The InChIKey is FQQYPDXXCRVYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O.ClH/c16-13-2-1-11-7-9-3-5-14-6-4-10(9)8-12(11)15-13;/h1-8H;1H.
What are the key properties of pyrido[2,3-h][3]benzazepin-2-one;hydrochloride?
pyrido[2,3-h][3]benzazepin-2-one;hydrochloride has a molecular weight of 244.68 g/mol, XLogP of 2.57, 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;hydrochloride is sourced from PubChem (CID 162321168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).