3-nitroso-1H-quinolin-2-one

C9H6N2O2 — CID 22103970

IUPAC3-nitroso-1H-quinolin-2-one
SMILESO=Nc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C9H6N2O2/c12-9-8(11-13)5-6-3-1-2-4-7(6)10-9/h1-5H,(H,10,12)
InChIKeyDAEFFNAEABRQEK-UHFFFAOYSA-N
MW174.16 g/mol
LogP1.93
Rot. Bonds1

About 3-nitroso-1H-quinolin-2-one

3-nitroso-1H-quinolin-2-one (PubChem CID 22103970) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 3-nitroso-1H-quinolin-2-one.

Molecular Properties

Compound Name3-nitroso-1H-quinolin-2-one
PubChem CID22103970
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name3-nitroso-1H-quinolin-2-one
SMILESO=Nc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C9H6N2O2/c12-9-8(11-13)5-6-3-1-2-4-7(6)10-9/h1-5H,(H,10,12)
InChIKeyDAEFFNAEABRQEK-UHFFFAOYSA-N
XLogP1.93
TPSA62.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(18F)fluoro-1H-quinolin-2-one
CID 158117840
3-hydroxy-1H-quinolin-2-one
CID 162237175
3-hydroxy-1H-quinolin-2-one
CID 818159
copper bis(2-oxo-1H-quinolin-3-olate)
CID 67199859
3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one
CID 933826
3-[(E)-2-phenylethenyl]-1H-quinolin-2-one
CID 12867118
3-(dichloromethyl)-1H-quinolin-2-one
CID 15208670
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
2-oxo-1H-quinoline-3-carbonitrile;tribromoborane
CID 175799807
N,N-dimethyl-2-oxo-1H-quinoline-3-carboxamide
CID 14117619
3-(3-hydroxynaphthalene-2-carbonyl)-1H-quinolin-2-one
CID 628875
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
CID 136503680

Frequently Asked Questions

What is the IUPAC name of 3-nitroso-1H-quinolin-2-one?
The IUPAC name of 3-nitroso-1H-quinolin-2-one (CID 22103970) is 3-nitroso-1H-quinolin-2-one.
What is the SMILES notation for 3-nitroso-1H-quinolin-2-one?
The canonical SMILES for 3-nitroso-1H-quinolin-2-one is O=Nc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-nitroso-1H-quinolin-2-one?
The InChIKey is DAEFFNAEABRQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-9-8(11-13)5-6-3-1-2-4-7(6)10-9/h1-5H,(H,10,12).
What are the key properties of 3-nitroso-1H-quinolin-2-one?
3-nitroso-1H-quinolin-2-one has a molecular weight of 174.16 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroso-1H-quinolin-2-one is sourced from PubChem (CID 22103970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).