4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one

C16H12N4O4 — CID 135666418

IUPAC4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one
SMILESCn1c(=O)c(/N=N/c2ccccc2[N+](=O)[O-])c(O)c2ccccc21
InChIInChI=1S/C16H12N4O4/c1-19-12-8-4-2-6-10(12)15(21)14(16(19)22)18-17-11-7-3-5-9-13(11)20(23)24/h2-9,21H,1H3/b18-17+
InChIKeyBUJQHRIAICVCEJ-ISLYRVAYSA-N
MW324.30 g/mol
LogP3.57
Rot. Bonds3

About 4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one

4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one (PubChem CID 135666418) has the molecular formula C16H12N4O4 and a molecular weight of 324.30 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one
PubChem CID135666418
Molecular FormulaC16H12N4O4
Molecular Weight324.30 g/mol
Exact Mass324.09
IUPAC Name4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one
SMILESCn1c(=O)c(/N=N/c2ccccc2[N+](=O)[O-])c(O)c2ccccc21
InChIInChI=1S/C16H12N4O4/c1-19-12-8-4-2-6-10(12)15(21)14(16(19)22)18-17-11-7-3-5-9-13(11)20(23)24/h2-9,21H,1H3/b18-17+
InChIKeyBUJQHRIAICVCEJ-ISLYRVAYSA-N
XLogP3.57
TPSA110.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one
CID 54698783
2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
CID 135503618
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053
4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
CID 3525274
4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135525034
10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
CID 136691071
4-hydroxy-1-methyl-3-[C-methyl-N-(4-nitrophenyl)carbonimidoyl]quinolin-2-one
CID 135496935
4-hydroxy-1-methyl-3-(4-nitrophenyl)sulfanylquinolin-2-one
CID 54712454
1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol
CID 135898860
(2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene
CID 135645807
6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 2754543

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one (CID 135666418) is 4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one is Cn1c(=O)c(/N=N/c2ccccc2[N+](=O)[O-])c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one?
The InChIKey is BUJQHRIAICVCEJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H12N4O4/c1-19-12-8-4-2-6-10(12)15(21)14(16(19)22)18-17-11-7-3-5-9-13(11)20(23)24/h2-9,21H,1H3/b18-17+.
What are the key properties of 4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one?
4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one has a molecular weight of 324.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one is sourced from PubChem (CID 135666418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).