9-(hydroxyamino)-5-methyl-6H-pyrido[2,3-c][2]benzazepin-11-one;hydrate

C14H15N3O3 — CID 142894121

IUPAC9-(hydroxyamino)-5-methyl-6H-pyrido[2,3-c][2]benzazepin-11-one;hydrate
SMILESCN1Cc2ccc(NO)cc2C(=O)c2cccnc21.O
InChIInChI=1S/C14H13N3O2.H2O/c1-17-8-9-4-5-10(16-19)7-12(9)13(18)11-3-2-6-15-14(11)17;/h2-7,16,19H,8H2,1H3;1H2
InChIKeyCLJNQGAZHXBSPM-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.24
Rot. Bonds1

About 9-(hydroxyamino)-5-methyl-6H-pyrido[2,3-c][2]benzazepin-11-one;hydrate

9-(hydroxyamino)-5-methyl-6H-pyrido[2,3-c][2]benzazepin-11-one;hydrate (PubChem CID 142894121) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 9-(hydroxyamino)-5-methyl-6H-pyrido[2,3-c][2]benzazepin-11-one;hydrate.

Molecular Properties

Compound Name9-(hydroxyamino)-5-methyl-6H-pyrido[2,3-c][2]benzazepin-11-one;hydrate
PubChem CID142894121
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name9-(hydroxyamino)-5-methyl-6H-pyrido[2,3-c][2]benzazepin-11-one;hydrate
SMILESCN1Cc2ccc(NO)cc2C(=O)c2cccnc21.O
InChIInChI=1S/C14H13N3O2.H2O/c1-17-8-9-4-5-10(16-19)7-12(9)13(18)11-3-2-6-15-14(11)17;/h2-7,16,19H,8H2,1H3;1H2
InChIKeyCLJNQGAZHXBSPM-UHFFFAOYSA-N
XLogP1.24
TPSA96.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(hydroxyamino)-5-methyl-6H-pyrido[2,3-c][2]benzazepin-11-one;hydrate?
The IUPAC name of 9-(hydroxyamino)-5-methyl-6H-pyrido[2,3-c][2]benzazepin-11-one;hydrate (CID 142894121) is 9-(hydroxyamino)-5-methyl-6H-pyrido[2,3-c][2]benzazepin-11-one;hydrate.
What is the SMILES notation for 9-(hydroxyamino)-5-methyl-6H-pyrido[2,3-c][2]benzazepin-11-one;hydrate?
The canonical SMILES for 9-(hydroxyamino)-5-methyl-6H-pyrido[2,3-c][2]benzazepin-11-one;hydrate is CN1Cc2ccc(NO)cc2C(=O)c2cccnc21.O.
What is the InChIKey of 9-(hydroxyamino)-5-methyl-6H-pyrido[2,3-c][2]benzazepin-11-one;hydrate?
The InChIKey is CLJNQGAZHXBSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2.H2O/c1-17-8-9-4-5-10(16-19)7-12(9)13(18)11-3-2-6-15-14(11)17;/h2-7,16,19H,8H2,1H3;1H2.
What are the key properties of 9-(hydroxyamino)-5-methyl-6H-pyrido[2,3-c][2]benzazepin-11-one;hydrate?
9-(hydroxyamino)-5-methyl-6H-pyrido[2,3-c][2]benzazepin-11-one;hydrate has a molecular weight of 273.29 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(hydroxyamino)-5-methyl-6H-pyrido[2,3-c][2]benzazepin-11-one;hydrate is sourced from PubChem (CID 142894121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).