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

C16H12N4O3 — CID 71327652

IUPAC1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one
SMILESCn1c(=O)c(/N=N/c2cccc([N+](=O)[O-])c2)cc2ccccc21
InChIInChI=1S/C16H12N4O3/c1-19-15-8-3-2-5-11(15)9-14(16(19)21)18-17-12-6-4-7-13(10-12)20(22)23/h2-10H,1H3/b18-17+
InChIKeyCTAWAJADCDPUAO-ISLYRVAYSA-N
MW308.30 g/mol
LogP3.86
Rot. Bonds3

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

1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one (PubChem CID 71327652) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one
PubChem CID71327652
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one
SMILESCn1c(=O)c(/N=N/c2cccc([N+](=O)[O-])c2)cc2ccccc21
InChIInChI=1S/C16H12N4O3/c1-19-15-8-3-2-5-11(15)9-14(16(19)21)18-17-12-6-4-7-13(10-12)20(22)23/h2-10H,1H3/b18-17+
InChIKeyCTAWAJADCDPUAO-ISLYRVAYSA-N
XLogP3.86
TPSA89.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one?
The IUPAC name of 1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one (CID 71327652) is 1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one.
What is the SMILES notation for 1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one?
The canonical SMILES for 1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one is Cn1c(=O)c(/N=N/c2cccc([N+](=O)[O-])c2)cc2ccccc21.
What is the InChIKey of 1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one?
The InChIKey is CTAWAJADCDPUAO-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H12N4O3/c1-19-15-8-3-2-5-11(15)9-14(16(19)21)18-17-12-6-4-7-13(10-12)20(22)23/h2-10H,1H3/b18-17+.
What are the key properties of 1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one?
1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one has a molecular weight of 308.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one is sourced from PubChem (CID 71327652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).