4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol

C16H12N4O3 — CID 135642191

IUPAC4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc3ccccc3n2)c1
InChIInChI=1S/C16H12N4O3/c21-15-7-6-13(20(22)23)9-12(15)10-17-19-16-8-5-11-3-1-2-4-14(11)18-16/h1-10,21H,(H,18,19)/b17-10+
InChIKeyGBXZYECIRHNWJN-LICLKQGHSA-N
MW308.30 g/mol
LogP3.29
Rot. Bonds4

About 4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol

4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 135642191) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
PubChem CID135642191
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc3ccccc3n2)c1
InChIInChI=1S/C16H12N4O3/c21-15-7-6-13(20(22)23)9-12(15)10-17-19-16-8-5-11-3-1-2-4-14(11)18-16/h1-10,21H,(H,18,19)/b17-10+
InChIKeyGBXZYECIRHNWJN-LICLKQGHSA-N
XLogP3.29
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride
CID 171151221
2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol
CID 3448600
4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 135785158
2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol
CID 137165787
2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 135406122
4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3407357
3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 171979348
2-[(E)-[[4-anilino-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-nitrophenol
CID 135637772
3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
CID 4840474
3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3101754
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol (CID 135642191) is 4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol is O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc3ccccc3n2)c1.
What is the InChIKey of 4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is GBXZYECIRHNWJN-LICLKQGHSA-N. The full InChI is InChI=1S/C16H12N4O3/c21-15-7-6-13(20(22)23)9-12(15)10-17-19-16-8-5-11-3-1-2-4-14(11)18-16/h1-10,21H,(H,18,19)/b17-10+.
What are the key properties of 4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol?
4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 308.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135642191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).