3-diazoquinolin-2-one

C9H5N3O — CID 141194492

IUPAC3-diazoquinolin-2-one
SMILES[N-]=[N+]=C1C=c2ccccc2=NC1=O
InChIInChI=1S/C9H5N3O/c10-12-8-5-6-3-1-2-4-7(6)11-9(8)13/h1-5H
InChIKeyXYEKNOJWISDXAO-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.70
Rot. Bonds

About 3-diazoquinolin-2-one

3-diazoquinolin-2-one (PubChem CID 141194492) has the molecular formula C9H5N3O and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-diazoquinolin-2-one.

Molecular Properties

Compound Name3-diazoquinolin-2-one
PubChem CID141194492
Molecular FormulaC9H5N3O
Molecular Weight171.16 g/mol
Exact Mass171.04
IUPAC Name3-diazoquinolin-2-one
SMILES[N-]=[N+]=C1C=c2ccccc2=NC1=O
InChIInChI=1S/C9H5N3O/c10-12-8-5-6-3-1-2-4-7(6)11-9(8)13/h1-5H
InChIKeyXYEKNOJWISDXAO-UHFFFAOYSA-N
XLogP-0.70
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydroquinolinone
CID 56625474
Carbonyl quinolinone
CID 71302596
[1,2,3]Triazolo[4,5-c]quinolone
CID 141504568
3-fluoro-3H-quinolin-2-one
CID 119086068
Benzo[g]quinoxalinedione
CID 85280093
3-(azidomethyl)-7-fluoro-3H-quinolin-2-one
CID 178188863
6-Methylquinoxaline-2,3-dione
CID 19073526
6H-quinolin-2-one
CID 19699059
3-Sulfanylidenequinolin-2-one
CID 22250100
5-Methylquinoxaline-2,3-dione
CID 54124950
6-chloro-3H-quinolin-2-one
CID 57098757
4aH-1,2,3-benzotriazin-4-one
CID 57161328

Frequently Asked Questions

What is the IUPAC name of 3-diazoquinolin-2-one?
The IUPAC name of 3-diazoquinolin-2-one (CID 141194492) is 3-diazoquinolin-2-one.
What is the SMILES notation for 3-diazoquinolin-2-one?
The canonical SMILES for 3-diazoquinolin-2-one is [N-]=[N+]=C1C=c2ccccc2=NC1=O.
What is the InChIKey of 3-diazoquinolin-2-one?
The InChIKey is XYEKNOJWISDXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O/c10-12-8-5-6-3-1-2-4-7(6)11-9(8)13/h1-5H.
What are the key properties of 3-diazoquinolin-2-one?
3-diazoquinolin-2-one has a molecular weight of 171.16 g/mol, XLogP of -0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazoquinolin-2-one is sourced from PubChem (CID 141194492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).