2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid

C20H19N3O4 — CID 8981304

IUPAC2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCOc1ccc2c(C)cc(N/N=C\c3ccccc3OCC(=O)O)nc2c1
InChIInChI=1S/C20H19N3O4/c1-13-9-19(22-17-10-15(26-2)7-8-16(13)17)23-21-11-14-5-3-4-6-18(14)27-12-20(24)25/h3-11H,12H2,1-2H3,(H,22,23)(H,24,25)/b21-11-
InChIKeyZALFNQCDMHZAHJ-NHDPSOOVSA-N
MW365.39 g/mol
LogP3.46
Rot. Bonds7

About 2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 8981304) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID8981304
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCOc1ccc2c(C)cc(N/N=C\c3ccccc3OCC(=O)O)nc2c1
InChIInChI=1S/C20H19N3O4/c1-13-9-19(22-17-10-15(26-2)7-8-16(13)17)23-21-11-14-5-3-4-6-18(14)27-12-20(24)25/h3-11H,12H2,1-2H3,(H,22,23)(H,24,25)/b21-11-
InChIKeyZALFNQCDMHZAHJ-NHDPSOOVSA-N
XLogP3.46
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 135619124
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096
methyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate
CID 8982355
2-[2-[[[2-(4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 805205
7-methoxy-N,4-dimethylquinolin-2-amine
CID 84619850
2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6910990
2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 9215631
2-[2-[(Z)-[[2-[(4-methoxyphenyl)sulfamoyl]-4-nitrophenyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6283371
3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135982526
2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 8981080
2-[2-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104419
2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 5403957

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 8981304) is 2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid is COc1ccc2c(C)cc(N/N=C\c3ccccc3OCC(=O)O)nc2c1.
What is the InChIKey of 2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is ZALFNQCDMHZAHJ-NHDPSOOVSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-9-19(22-17-10-15(26-2)7-8-16(13)17)23-21-11-14-5-3-4-6-18(14)27-12-20(24)25/h3-11H,12H2,1-2H3,(H,22,23)(H,24,25)/b21-11-.
What are the key properties of 2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 365.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 8981304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).