4-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol

C17H14ClN3O2 — CID 2851165

IUPAC4-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(C=NNc2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=1S/C17H14ClN3O2/c1-23-17-8-11(2-5-16(17)22)10-20-21-14-6-7-19-15-9-12(18)3-4-13(14)15/h2-10,22H,1H3,(H,19,21)
InChIKeyDVHZBLUWFREWQV-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.05
Rot. Bonds4

About 4-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol

4-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 2851165) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 4-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
PubChem CID2851165
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name4-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(C=NNc2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=1S/C17H14ClN3O2/c1-23-17-8-11(2-5-16(17)22)10-20-21-14-6-7-19-15-9-12(18)3-4-13(14)15/h2-10,22H,1H3,(H,19,21)
InChIKeyDVHZBLUWFREWQV-UHFFFAOYSA-N
XLogP4.05
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol (CID 2851165) is 4-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol is COc1cc(C=NNc2ccnc3cc(Cl)ccc23)ccc1O.
What is the InChIKey of 4-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is DVHZBLUWFREWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-23-17-8-11(2-5-16(17)22)10-20-21-14-6-7-19-15-9-12(18)3-4-13(14)15/h2-10,22H,1H3,(H,19,21).
What are the key properties of 4-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol?
4-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol has a molecular weight of 327.77 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol is sourced from PubChem (CID 2851165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).