4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide

C23H19N5O4 — CID 136599111

IUPAC4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide
SMILESNc1ccc(/N=N/c2c(O)c(C(=O)Nc3ccc([NH+]([O-])O)cc3)cc3ccccc23)cc1
InChIInChI=1S/C23H19N5O4/c24-15-5-7-17(8-6-15)26-27-21-19-4-2-1-3-14(19)13-20(22(21)29)23(30)25-16-9-11-18(12-10-16)28(31)32/h1-13,28-29,31H,24H2,(H,25,30)/b27-26+
InChIKeyQYDFHPJBMRPLQF-CYYJNZCTSA-N
MW429.44 g/mol
LogP4.20
Rot. Bonds5

About 4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide

4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide (PubChem CID 136599111) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is 4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide.

Molecular Properties

Compound Name4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide
PubChem CID136599111
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC Name4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide
SMILESNc1ccc(/N=N/c2c(O)c(C(=O)Nc3ccc([NH+]([O-])O)cc3)cc3ccccc23)cc1
InChIInChI=1S/C23H19N5O4/c24-15-5-7-17(8-6-15)26-27-21-19-4-2-1-3-14(19)13-20(22(21)29)23(30)25-16-9-11-18(12-10-16)28(31)32/h1-13,28-29,31H,24H2,(H,25,30)/b27-26+
InChIKeyQYDFHPJBMRPLQF-CYYJNZCTSA-N
XLogP4.20
TPSA147.80 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 136994644
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane
CID 162195447
4-[(2-chloro-3-methylphenyl)diazenyl]-N-[4-[[4-[(2-chloro-3-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 136854780
4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 177440661
bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 3798515
3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide
CID 137389574
(3,5-dichlorophenyl) 5-[[3-[[4-[[4-[[3-(3,5-dichlorophenoxy)carbonyl-4-methylphenyl]diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-2-methylbenzoate
CID 136854742
3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide
CID 135731626
N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 135584933
4-[[4-[(3-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-[4-[[4-[(3-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]benzenecarboximidic acid
CID 136849552

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide?
The IUPAC name of 4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide (CID 136599111) is 4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide.
What is the SMILES notation for 4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide?
The canonical SMILES for 4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide is Nc1ccc(/N=N/c2c(O)c(C(=O)Nc3ccc([NH+]([O-])O)cc3)cc3ccccc23)cc1.
What is the InChIKey of 4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide?
The InChIKey is QYDFHPJBMRPLQF-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H19N5O4/c24-15-5-7-17(8-6-15)26-27-21-19-4-2-1-3-14(19)13-20(22(21)29)23(30)25-16-9-11-18(12-10-16)28(31)32/h1-13,28-29,31H,24H2,(H,25,30)/b27-26+.
What are the key properties of 4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide?
4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide has a molecular weight of 429.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide is sourced from PubChem (CID 136599111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).