2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one

C15H11N5O3 — CID 135509420

IUPAC2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one
SMILESNc1[nH]c2ccccc2c(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N5O3/c16-15-13(14(21)11-3-1-2-4-12(11)17-15)19-18-9-5-7-10(8-6-9)20(22)23/h1-8H,(H3,16,17,21)/b19-18+
InChIKeyLBOBGKXIBFPBKO-VHEBQXMUSA-N
MW309.29 g/mol
LogP3.43
Rot. Bonds3

About 2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one

2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one (PubChem CID 135509420) has the molecular formula C15H11N5O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one
PubChem CID135509420
Molecular FormulaC15H11N5O3
Molecular Weight309.29 g/mol
Exact Mass309.09
IUPAC Name2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one
SMILESNc1[nH]c2ccccc2c(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N5O3/c16-15-13(14(21)11-3-1-2-4-12(11)17-15)19-18-9-5-7-10(8-6-9)20(22)23/h1-8H,(H3,16,17,21)/b19-18+
InChIKeyLBOBGKXIBFPBKO-VHEBQXMUSA-N
XLogP3.43
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.43
H-Bond Donors ≤ 52
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'}

Analyze 2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

1H-indol-3-yl-(4-nitrophenyl)diazene
CID 135447734
(4-nitrophenyl)-phenyldiazene
CID 17222
7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol
CID 177249161
2-[(4-nitrophenyl)diazenyl]aniline
CID 18955864
sodium;8-amino-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;hydride
CID 175238217
5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid
CID 136634817
7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
CID 101304417
5-methyl-4-[(4-nitrophenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 5113368
2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one
CID 177450866
3-methyl-2-[2-(4-nitrophenyl)ethyl]-1H-quinolin-4-one
CID 58625502
2-nitro-10H-acridin-9-one;sulfuryl dichloride
CID 159861980
(3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene
CID 155272345

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one?
The IUPAC name of 2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one (CID 135509420) is 2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one?
The canonical SMILES for 2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one is Nc1[nH]c2ccccc2c(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one?
The InChIKey is LBOBGKXIBFPBKO-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H11N5O3/c16-15-13(14(21)11-3-1-2-4-12(11)17-15)19-18-9-5-7-10(8-6-9)20(22)23/h1-8H,(H3,16,17,21)/b19-18+.
What are the key properties of 2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one?
2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one has a molecular weight of 309.29 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one is sourced from PubChem (CID 135509420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).