2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol

C16H12N4O3 — CID 5006377

IUPAC2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1cccc(C=NNc2cccc3cccnc23)c1O
InChIInChI=1S/C16H12N4O3/c21-16-12(5-2-8-14(16)20(22)23)10-18-19-13-7-1-4-11-6-3-9-17-15(11)13/h1-10,19,21H
InChIKeyGOORYYXBTRMYNB-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.29
Rot. Bonds4

About 2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol

2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol (PubChem CID 5006377) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
PubChem CID5006377
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1cccc(C=NNc2cccc3cccnc23)c1O
InChIInChI=1S/C16H12N4O3/c21-16-12(5-2-8-14(16)20(22)23)10-18-19-13-7-1-4-11-6-3-9-17-15(11)13/h1-10,19,21H
InChIKeyGOORYYXBTRMYNB-UHFFFAOYSA-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

4-chloro-2-nitro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 135763883
4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3097115
2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate
CID 7640513
2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3093103
N-[(2-hydroxy-3-nitrophenyl)methylideneamino]pyridine-2-carboxamide
CID 3707808
2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 136914182
2-methoxy-6-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135458786
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3091226
2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 4097319
N-[(E)-[(2E)-2-(quinolin-8-ylhydrazinylidene)ethylidene]amino]quinolin-8-amine
CID 6870658
2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol
CID 779324
N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine
CID 40532923

Frequently Asked Questions

What is the IUPAC name of 2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol (CID 5006377) is 2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol is O=[N+]([O-])c1cccc(C=NNc2cccc3cccnc23)c1O.
What is the InChIKey of 2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol?
The InChIKey is GOORYYXBTRMYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c21-16-12(5-2-8-14(16)20(22)23)10-18-19-13-7-1-4-11-6-3-9-17-15(11)13/h1-10,19,21H.
What are the key properties of 2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol?
2-nitro-6-[(quinolin-8-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 2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 5006377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).