4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol

C25H21N3O2 — CID 136766562

IUPAC4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc2nc(/C=C/c3ccccc3)cc(N/N=C\c3ccc(O)cc3)c2c1
InChIInChI=1S/C25H21N3O2/c1-30-22-13-14-24-23(16-22)25(28-26-17-19-8-11-21(29)12-9-19)15-20(27-24)10-7-18-5-3-2-4-6-18/h2-17,29H,1H3,(H,27,28)/b10-7+,26-17-
InChIKeyYQBUUGUDMPBZIT-JXJIOSSYSA-N
MW395.46 g/mol
LogP5.57
Rot. Bonds6

About 4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol

4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol (PubChem CID 136766562) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol
PubChem CID136766562
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc2nc(/C=C/c3ccccc3)cc(N/N=C\c3ccc(O)cc3)c2c1
InChIInChI=1S/C25H21N3O2/c1-30-22-13-14-24-23(16-22)25(28-26-17-19-8-11-21(29)12-9-19)15-20(27-24)10-7-18-5-3-2-4-6-18/h2-17,29H,1H3,(H,27,28)/b10-7+,26-17-
InChIKeyYQBUUGUDMPBZIT-JXJIOSSYSA-N
XLogP5.57
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.57
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'}

Analyze 4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol with MolForge

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Related Compounds

6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208
N-[(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 44537106
N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 45480852
6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine
CID 44537075
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine
CID 53232180
3-[[(2,6-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 3141483
2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 137266020
6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine
CID 3714888
N-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 162647181
3-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 110509088
N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine
CID 44537115

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol (CID 136766562) is 4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol is COc1ccc2nc(/C=C/c3ccccc3)cc(N/N=C\c3ccc(O)cc3)c2c1.
What is the InChIKey of 4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol?
The InChIKey is YQBUUGUDMPBZIT-JXJIOSSYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-30-22-13-14-24-23(16-22)25(28-26-17-19-8-11-21(29)12-9-19)15-20(27-24)10-7-18-5-3-2-4-6-18/h2-17,29H,1H3,(H,27,28)/b10-7+,26-17-.
What are the key properties of 4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol?
4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol has a molecular weight of 395.46 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136766562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).