4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol

C16H12ClN3O2 — CID 135550265

IUPAC4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1O
InChIInChI=1S/C16H12ClN3O2/c17-11-2-3-12-13(5-6-18-14(12)8-11)20-19-9-10-1-4-15(21)16(22)7-10/h1-9,21-22H,(H,18,20)/b19-9+
InChIKeyRKPVWVMSFURBEQ-DJKKODMXSA-N
MW313.74 g/mol
LogP3.75
Rot. Bonds3

About 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol

4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 135550265) 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-1,2-diol.

Molecular Properties

Compound Name4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol
PubChem CID135550265
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1O
InChIInChI=1S/C16H12ClN3O2/c17-11-2-3-12-13(5-6-18-14(12)8-11)20-19-9-10-1-4-15(21)16(22)7-10/h1-9,21-22H,(H,18,20)/b19-9+
InChIKeyRKPVWVMSFURBEQ-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_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol (CID 135550265) is 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol is Oc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1O.
What is the InChIKey of 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is RKPVWVMSFURBEQ-DJKKODMXSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-11-2-3-12-13(5-6-18-14(12)8-11)20-19-9-10-1-4-15(21)16(22)7-10/h1-9,21-22H,(H,18,20)/b19-9+.
What are the key properties of 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol?
4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,2-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-1,2-diol is sourced from PubChem (CID 135550265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).