4-[(E)-[(2,6,8-trimethylquinolin-4-yl)hydrazinylidene]methyl]phenol

C19H19N3O — CID 135468598

IUPAC4-[(E)-[(2,6,8-trimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(C)c2nc(C)cc(N/N=C/c3ccc(O)cc3)c2c1
InChIInChI=1S/C19H19N3O/c1-12-8-13(2)19-17(9-12)18(10-14(3)21-19)22-20-11-15-4-6-16(23)7-5-15/h4-11,23H,1-3H3,(H,21,22)/b20-11+
InChIKeyMDMUKNRLKSHWEN-RGVLZGJSSA-N
MW305.38 g/mol
LogP4.31
Rot. Bonds3

About 4-[(E)-[(2,6,8-trimethylquinolin-4-yl)hydrazinylidene]methyl]phenol

4-[(E)-[(2,6,8-trimethylquinolin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135468598) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[(E)-[(2,6,8-trimethylquinolin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(2,6,8-trimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135468598
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-[(E)-[(2,6,8-trimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(C)c2nc(C)cc(N/N=C/c3ccc(O)cc3)c2c1
InChIInChI=1S/C19H19N3O/c1-12-8-13(2)19-17(9-12)18(10-14(3)21-19)22-20-11-15-4-6-16(23)7-5-15/h4-11,23H,1-3H3,(H,21,22)/b20-11+
InChIKeyMDMUKNRLKSHWEN-RGVLZGJSSA-N
XLogP4.31
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.31
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

4-(9-Acridinylamino)phenol
CID 148949
4-Methyl-3-{[6-(pyridin-3-yl)quinolin-4-yl]amino}phenol
CID 25023830
2-(Acridin-9-ylamino)-4-methylphenol
CID 5088525
4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol
CID 135676152
4-[(E)-2-(quinolin-2-yl)ethenyl]phenol
CID 135408526
N-(4-Methoxy-benzylidene)-N'-(2-methyl-quinolin-4-yl)-hydrazine
CID 9594929
3-[(2,6-Dimethyl-quinolin-4-yl)-hydrazonomethyl]-phenol
CID 9594940
N-(2,6-Dimethyl-quinolin-4-yl)-N'-(2-methoxy-benzylidene)-hydrazine
CID 9594943
N-(2,8-Dimethyl-quinolin-4-yl)-N'-(4-methoxy-benzylidene)-hydrazine
CID 9594956
2-[(2-Methyl-quinolin-4-yl)-hydrazonomethyl]-phenol
CID 135468583
4-[(2-Methyl-quinolin-4-yl)-hydrazonomethyl]-benzene-1,3-diol
CID 135468585
4-[(2,8-Dimethyl-quinolin-4-yl)-hydrazonomethyl]-phenol
CID 135468594

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(2,6,8-trimethylquinolin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(2,6,8-trimethylquinolin-4-yl)hydrazinylidene]methyl]phenol (CID 135468598) is 4-[(E)-[(2,6,8-trimethylquinolin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(2,6,8-trimethylquinolin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(2,6,8-trimethylquinolin-4-yl)hydrazinylidene]methyl]phenol is Cc1cc(C)c2nc(C)cc(N/N=C/c3ccc(O)cc3)c2c1.
What is the InChIKey of 4-[(E)-[(2,6,8-trimethylquinolin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is MDMUKNRLKSHWEN-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H19N3O/c1-12-8-13(2)19-17(9-12)18(10-14(3)21-19)22-20-11-15-4-6-16(23)7-5-15/h4-11,23H,1-3H3,(H,21,22)/b20-11+.
What are the key properties of 4-[(E)-[(2,6,8-trimethylquinolin-4-yl)hydrazinylidene]methyl]phenol?
4-[(E)-[(2,6,8-trimethylquinolin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 305.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2,6,8-trimethylquinolin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135468598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).