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

C16H11ClN4O3 — CID 3097115

IUPAC4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1cc(Cl)cc(C=NNc2cccc3cccnc23)c1O
InChIInChI=1S/C16H11ClN4O3/c17-12-7-11(16(22)14(8-12)21(23)24)9-19-20-13-5-1-3-10-4-2-6-18-15(10)13/h1-9,20,22H
InChIKeySEDMWFIVJUZOSK-UHFFFAOYSA-N
MW342.74 g/mol
LogP3.95
Rot. Bonds4

About 4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol

4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol (PubChem CID 3097115) has the molecular formula C16H11ClN4O3 and a molecular weight of 342.74 g/mol. Its IUPAC name is 4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
PubChem CID3097115
Molecular FormulaC16H11ClN4O3
Molecular Weight342.74 g/mol
Exact Mass342.05
IUPAC Name4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1cc(Cl)cc(C=NNc2cccc3cccnc23)c1O
InChIInChI=1S/C16H11ClN4O3/c17-12-7-11(16(22)14(8-12)21(23)24)9-19-20-13-5-1-3-10-4-2-6-18-15(10)13/h1-9,20,22H
InChIKeySEDMWFIVJUZOSK-UHFFFAOYSA-N
XLogP3.95
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 53.95
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'}

Analyze 4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol 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

4-chloro-2-nitro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 135763883
2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 5006377
2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 136914182
4-chloro-2-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 135615920
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol
CID 135608147
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride
CID 135760746
2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3093103
2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3698846
4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 4195262
4-chloro-2-nitro-6-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 3298245
4-chloro-2-nitro-6-(quinolin-8-yliminomethyl)phenolate
CID 7034126

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol (CID 3097115) is 4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol is O=[N+]([O-])c1cc(Cl)cc(C=NNc2cccc3cccnc23)c1O.
What is the InChIKey of 4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol?
The InChIKey is SEDMWFIVJUZOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O3/c17-12-7-11(16(22)14(8-12)21(23)24)9-19-20-13-5-1-3-10-4-2-6-18-15(10)13/h1-9,20,22H.
What are the key properties of 4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol?
4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol has a molecular weight of 342.74 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 3097115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).