4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]phenol

C16H12ClN3O — CID 135620374

IUPAC4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C16H12ClN3O/c17-12-3-6-14-15(7-8-18-16(14)9-12)20-19-10-11-1-4-13(21)5-2-11/h1-10,21H,(H,18,20)/b19-10+
InChIKeyVAOZIGNCIRWVGN-VXLYETTFSA-N
MW297.75 g/mol
LogP4.04
Rot. Bonds3

About 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]phenol

4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135620374) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135620374
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C16H12ClN3O/c17-12-3-6-14-15(7-8-18-16(14)9-12)20-19-10-11-1-4-13(21)5-2-11/h1-10,21H,(H,18,20)/b19-10+
InChIKeyVAOZIGNCIRWVGN-VXLYETTFSA-N
XLogP4.04
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
Gsk-369796
CID 10316203
Npc488012
CID 16051921
Amodiaquine dihydrochloride dihydrate
CID 16218886
Desethyl isoquine
CID 11450263
2-[(Tert-butylamino)methyl]-4-[(7-chloroquinolin-4-yl)amino]-6-propylphenol
CID 9843780

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]phenol (CID 135620374) is 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]phenol is Oc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is VAOZIGNCIRWVGN-VXLYETTFSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-12-3-6-14-15(7-8-18-16(14)9-12)20-19-10-11-1-4-13(21)5-2-11/h1-10,21H,(H,18,20)/b19-10+.
What are the key properties of 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]phenol?
4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 297.75 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135620374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).