5-(methoxyamino)-3H-quinazolin-4-one

C9H9N3O2 — CID 167016018

IUPAC5-(methoxyamino)-3H-quinazolin-4-one
SMILESCONc1cccc2nc[nH]c(=O)c12
InChIInChI=1S/C9H9N3O2/c1-14-12-7-4-2-3-6-8(7)9(13)11-5-10-6/h2-5,12H,1H3,(H,10,11,13)
InChIKeyRNZDCWGIYAEKDZ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.90
Rot. Bonds2

About 5-(methoxyamino)-3H-quinazolin-4-one

5-(methoxyamino)-3H-quinazolin-4-one (PubChem CID 167016018) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-(methoxyamino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-(methoxyamino)-3H-quinazolin-4-one
PubChem CID167016018
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name5-(methoxyamino)-3H-quinazolin-4-one
SMILESCONc1cccc2nc[nH]c(=O)c12
InChIInChI=1S/C9H9N3O2/c1-14-12-7-4-2-3-6-8(7)9(13)11-5-10-6/h2-5,12H,1H3,(H,10,11,13)
InChIKeyRNZDCWGIYAEKDZ-UHFFFAOYSA-N
XLogP0.90
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-(methoxyamino)-3H-quinazolin-4-one?
The IUPAC name of 5-(methoxyamino)-3H-quinazolin-4-one (CID 167016018) is 5-(methoxyamino)-3H-quinazolin-4-one.
What is the SMILES notation for 5-(methoxyamino)-3H-quinazolin-4-one?
The canonical SMILES for 5-(methoxyamino)-3H-quinazolin-4-one is CONc1cccc2nc[nH]c(=O)c12.
What is the InChIKey of 5-(methoxyamino)-3H-quinazolin-4-one?
The InChIKey is RNZDCWGIYAEKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-12-7-4-2-3-6-8(7)9(13)11-5-10-6/h2-5,12H,1H3,(H,10,11,13).
What are the key properties of 5-(methoxyamino)-3H-quinazolin-4-one?
5-(methoxyamino)-3H-quinazolin-4-one has a molecular weight of 191.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxyamino)-3H-quinazolin-4-one is sourced from PubChem (CID 167016018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).