4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol

C16H12ClN3O2 — CID 135676016

IUPAC4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)c(O)c1
InChIInChI=1S/C16H12ClN3O2/c17-11-2-4-13-14(5-6-18-15(13)7-11)20-19-9-10-1-3-12(21)8-16(10)22/h1-9,21-22H,(H,18,20)/b19-9+
InChIKeyDDGSJRFLFFVFST-DJKKODMXSA-N
MW313.74 g/mol
LogP3.75
Rot. Bonds3

About 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol

4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135676016) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135676016
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)c(O)c1
InChIInChI=1S/C16H12ClN3O2/c17-11-2-4-13-14(5-6-18-15(13)7-11)20-19-9-10-1-3-12(21)8-16(10)22/h1-9,21-22H,(H,18,20)/b19-9+
InChIKeyDDGSJRFLFFVFST-DJKKODMXSA-N
XLogP3.75
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Amodiaquine
CID 2165
Amodiaquine Hydrochloride
CID 64646
Amopyroquine
CID 25194
Desethylamodiaquine
CID 122068
5-(7-Chloroquinolin-4-ylamino)-2-diethylaminomethylphenol
CID 2166
4-((7-Chloroquinolin-4-yl)amino)-2-((diethylamino)methyl)phenol dihydrochloride
CID 6246
7-Chloro-4-(4-hydroxyanilino)quinoline
CID 224178
Npc488012
CID 16051921
Amodiaquine dihydrochloride dihydrate
CID 16218886
Desethyl isoquine
CID 11450263
4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol
CID 135676152
[(E)-[(3-{[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl}-2,4-dihydroxyphenyl)methylidene]amino]urea
CID 135783347

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 135676016) is 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)c(O)c1.
What is the InChIKey of 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is DDGSJRFLFFVFST-DJKKODMXSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-11-2-4-13-14(5-6-18-15(13)7-11)20-19-9-10-1-3-12(21)8-16(10)22/h1-9,21-22H,(H,18,20)/b19-9+.
What are the key properties of 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 313.74 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135676016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).