3,8-dihydroxy-4-nitroso-1H-quinolin-2-one

C9H6N2O4 — CID 152541404

IUPAC3,8-dihydroxy-4-nitroso-1H-quinolin-2-one
SMILESO=Nc1c(O)c(=O)[nH]c2c(O)cccc12
InChIInChI=1S/C9H6N2O4/c12-5-3-1-2-4-6(5)10-9(14)8(13)7(4)11-15/h1-3,12-13H,(H,10,14)
InChIKeyYLPUFAKTBXIGEB-UHFFFAOYSA-N
MW206.16 g/mol
LogP1.34
Rot. Bonds1

About 3,8-dihydroxy-4-nitroso-1H-quinolin-2-one

3,8-dihydroxy-4-nitroso-1H-quinolin-2-one (PubChem CID 152541404) has the molecular formula C9H6N2O4 and a molecular weight of 206.16 g/mol. Its IUPAC name is 3,8-dihydroxy-4-nitroso-1H-quinolin-2-one.

Molecular Properties

Compound Name3,8-dihydroxy-4-nitroso-1H-quinolin-2-one
PubChem CID152541404
Molecular FormulaC9H6N2O4
Molecular Weight206.16 g/mol
Exact Mass206.03
IUPAC Name3,8-dihydroxy-4-nitroso-1H-quinolin-2-one
SMILESO=Nc1c(O)c(=O)[nH]c2c(O)cccc12
InChIInChI=1S/C9H6N2O4/c12-5-3-1-2-4-6(5)10-9(14)8(13)7(4)11-15/h1-3,12-13H,(H,10,14)
InChIKeyYLPUFAKTBXIGEB-UHFFFAOYSA-N
XLogP1.34
TPSA102.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,8-dihydroxy-4-nitroso-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,8-dihydroxy-4-nitroso-1H-quinolin-2-one?
The IUPAC name of 3,8-dihydroxy-4-nitroso-1H-quinolin-2-one (CID 152541404) is 3,8-dihydroxy-4-nitroso-1H-quinolin-2-one.
What is the SMILES notation for 3,8-dihydroxy-4-nitroso-1H-quinolin-2-one?
The canonical SMILES for 3,8-dihydroxy-4-nitroso-1H-quinolin-2-one is O=Nc1c(O)c(=O)[nH]c2c(O)cccc12.
What is the InChIKey of 3,8-dihydroxy-4-nitroso-1H-quinolin-2-one?
The InChIKey is YLPUFAKTBXIGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4/c12-5-3-1-2-4-6(5)10-9(14)8(13)7(4)11-15/h1-3,12-13H,(H,10,14).
What are the key properties of 3,8-dihydroxy-4-nitroso-1H-quinolin-2-one?
3,8-dihydroxy-4-nitroso-1H-quinolin-2-one has a molecular weight of 206.16 g/mol, XLogP of 1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dihydroxy-4-nitroso-1H-quinolin-2-one is sourced from PubChem (CID 152541404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).