4H-diazeto[3,4-c]quinolin-3-one

C9H5N3O — CID 136619278

IUPAC4H-diazeto[3,4-c]quinolin-3-one
SMILESO=c1[nH]c2ccccc2c2c1N=N2
InChIInChI=1S/C9H5N3O/c13-9-8-7(11-12-8)5-3-1-2-4-6(5)10-9/h1-4H,(H,10,13)
InChIKeyRXYSHNXLUIQLES-UHFFFAOYSA-N
MW171.16 g/mol
LogP2.26
Rot. Bonds

About 4H-diazeto[3,4-c]quinolin-3-one

4H-diazeto[3,4-c]quinolin-3-one (PubChem CID 136619278) has the molecular formula C9H5N3O and a molecular weight of 171.16 g/mol. Its IUPAC name is 4H-diazeto[3,4-c]quinolin-3-one.

Molecular Properties

Compound Name4H-diazeto[3,4-c]quinolin-3-one
PubChem CID136619278
Molecular FormulaC9H5N3O
Molecular Weight171.16 g/mol
Exact Mass171.04
IUPAC Name4H-diazeto[3,4-c]quinolin-3-one
SMILESO=c1[nH]c2ccccc2c2c1N=N2
InChIInChI=1S/C9H5N3O/c13-9-8-7(11-12-8)5-3-1-2-4-6(5)10-9/h1-4H,(H,10,13)
InChIKeyRXYSHNXLUIQLES-UHFFFAOYSA-N
XLogP2.26
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10H-acridin-9-one
CID 22753806
9H-carbazole;carbonic acid
CID 67577328
9H-carbazole
CID 66668984
2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one
CID 67211643
1,5-dihydro-1,5-benzodiazepine-2,3,4-trione
CID 12917041
3,4-ditert-butyl-1H-quinolin-2-one
CID 58782577
3,5-dihydro-2H-pyrazolo[3,4-c]quinoline-1,4-dione
CID 23366809
10H-acridin-9-one;ethane
CID 91525380
4,6-dihydropyrazino[2,3-c]quinoline-3,5-dione
CID 14869090
bis(9H-carbazole);platinum(2+)
CID 175826437
9H-carbazole;copper
CID 159878189
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one
CID 142092755

Frequently Asked Questions

What is the IUPAC name of 4H-diazeto[3,4-c]quinolin-3-one?
The IUPAC name of 4H-diazeto[3,4-c]quinolin-3-one (CID 136619278) is 4H-diazeto[3,4-c]quinolin-3-one.
What is the SMILES notation for 4H-diazeto[3,4-c]quinolin-3-one?
The canonical SMILES for 4H-diazeto[3,4-c]quinolin-3-one is O=c1[nH]c2ccccc2c2c1N=N2.
What is the InChIKey of 4H-diazeto[3,4-c]quinolin-3-one?
The InChIKey is RXYSHNXLUIQLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O/c13-9-8-7(11-12-8)5-3-1-2-4-6(5)10-9/h1-4H,(H,10,13).
What are the key properties of 4H-diazeto[3,4-c]quinolin-3-one?
4H-diazeto[3,4-c]quinolin-3-one has a molecular weight of 171.16 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-diazeto[3,4-c]quinolin-3-one is sourced from PubChem (CID 136619278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).