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

C18H17N3O2 — CID 137266020

IUPAC2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2cc(C)nc3ccccc23)ccc1O
InChIInChI=1S/C18H17N3O2/c1-12-9-16(14-5-3-4-6-15(14)20-12)21-19-11-13-7-8-17(22)18(10-13)23-2/h3-11,22H,1-2H3,(H,20,21)/b19-11+
InChIKeyVGBJLSBWVSFJDB-YBFXNURJSA-N
MW307.35 g/mol
LogP3.70
Rot. Bonds4

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

2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 137266020) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID137266020
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2cc(C)nc3ccccc23)ccc1O
InChIInChI=1S/C18H17N3O2/c1-12-9-16(14-5-3-4-6-15(14)20-12)21-19-11-13-7-8-17(22)18(10-13)23-2/h3-11,22H,1-2H3,(H,20,21)/b19-11+
InChIKeyVGBJLSBWVSFJDB-YBFXNURJSA-N
XLogP3.70
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.70
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'}

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Related Compounds

N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine
CID 56728889
2-methoxy-4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411435
4-[(E)-[[2-(4-bromophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135411545
4-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135549541
4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol
CID 135576406
4-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135489944
4-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 2861744
2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3709889
4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136847176
8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
CID 44537227
3-[[(2,6-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 3141483
2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol
CID 135613084

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol (CID 137266020) is 2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol is COc1cc(/C=N/Nc2cc(C)nc3ccccc23)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is VGBJLSBWVSFJDB-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-9-16(14-5-3-4-6-15(14)20-12)21-19-11-13-7-8-17(22)18(10-13)23-2/h3-11,22H,1-2H3,(H,20,21)/b19-11+.
What are the key properties of 2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol?
2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 307.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 137266020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).