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

C18H17N3O — CID 135537322

IUPAC2-[(E)-[(2,8-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(N/N=C/c2ccccc2O)c2cccc(C)c2n1
InChIInChI=1S/C18H17N3O/c1-12-6-5-8-15-16(10-13(2)20-18(12)15)21-19-11-14-7-3-4-9-17(14)22/h3-11,22H,1-2H3,(H,20,21)/b19-11+
InChIKeyNTMRKVPTNUYXQE-YBFXNURJSA-N
MW291.35 g/mol
LogP4.00
Rot. Bonds3

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

2-[(E)-[(2,8-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135537322) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(E)-[(2,8-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(2,8-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135537322
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-[(E)-[(2,8-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(N/N=C/c2ccccc2O)c2cccc(C)c2n1
InChIInChI=1S/C18H17N3O/c1-12-6-5-8-15-16(10-13(2)20-18(12)15)21-19-11-14-7-3-4-9-17(14)22/h3-11,22H,1-2H3,(H,20,21)/b19-11+
InChIKeyNTMRKVPTNUYXQE-YBFXNURJSA-N
XLogP4.00
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.00
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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Related Compounds

N-[(E)-(4-chlorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine
CID 45481194
N-[(E)-(4-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine
CID 45481253
N-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine
CID 44537110
4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136847176
2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine
CID 45480921
2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 137266020
8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
CID 44537227
N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
CID 44537092
8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine
CID 24805849
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid
CID 702836
3-[[(2,6-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 3141483
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790119

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(2,8-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(2,8-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol (CID 135537322) is 2-[(E)-[(2,8-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(2,8-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(2,8-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol is Cc1cc(N/N=C/c2ccccc2O)c2cccc(C)c2n1.
What is the InChIKey of 2-[(E)-[(2,8-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is NTMRKVPTNUYXQE-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-6-5-8-15-16(10-13(2)20-18(12)15)21-19-11-14-7-3-4-9-17(14)22/h3-11,22H,1-2H3,(H,20,21)/b19-11+.
What are the key properties of 2-[(E)-[(2,8-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol?
2-[(E)-[(2,8-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 291.35 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2,8-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135537322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).