2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol

C17H15N3O — CID 135541730

IUPAC2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(N/N=C\c2ccccc2O)nc2ccccc12
InChIInChI=1S/C17H15N3O/c1-12-10-17(19-15-8-4-3-7-14(12)15)20-18-11-13-6-2-5-9-16(13)21/h2-11,21H,1H3,(H,19,20)/b18-11-
InChIKeyFBFCGDAMQYXTIH-WQRHYEAKSA-N
MW277.33 g/mol
LogP3.69
Rot. Bonds3

About 2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol

2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135541730) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135541730
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(N/N=C\c2ccccc2O)nc2ccccc12
InChIInChI=1S/C17H15N3O/c1-12-10-17(19-15-8-4-3-7-14(12)15)20-18-11-13-6-2-5-9-16(13)21/h2-11,21H,1H3,(H,19,20)/b18-11-
InChIKeyFBFCGDAMQYXTIH-WQRHYEAKSA-N
XLogP3.69
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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 2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol (CID 135541730) is 2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol is Cc1cc(N/N=C\c2ccccc2O)nc2ccccc12.
What is the InChIKey of 2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is FBFCGDAMQYXTIH-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-10-17(19-15-8-4-3-7-14(12)15)20-18-11-13-6-2-5-9-16(13)21/h2-11,21H,1H3,(H,19,20)/b18-11-.
What are the key properties of 2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol?
2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 277.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135541730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).