2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

C20H21N3O4 — CID 9258441

IUPAC2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N\NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C20H21N3O4/c24-19(13-23-11-5-8-15-6-1-3-9-17(15)23)22-21-12-16-7-2-4-10-18(16)27-14-20(25)26/h1-4,6-7,9-10,12H,5,8,11,13-14H2,(H,22,24)(H,25,26)/b21-12-
InChIKeyGDVNTQIMLHPBBE-MTJSOVHGSA-N
MW367.41 g/mol
LogP2.05
Rot. Bonds7

About 2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 9258441) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID9258441
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N\NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C20H21N3O4/c24-19(13-23-11-5-8-15-6-1-3-9-17(15)23)22-21-12-16-7-2-4-10-18(16)27-14-20(25)26/h1-4,6-7,9-10,12H,5,8,11,13-14H2,(H,22,24)(H,25,26)/b21-12-
InChIKeyGDVNTQIMLHPBBE-MTJSOVHGSA-N
XLogP2.05
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 4092454
4-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9258347
2-[2-[[[2-(4-benzylpiperazin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1185540
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide
CID 9258499
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide
CID 9148353
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 4790915
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 9258036
2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104421
N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 54817149
2-[2-[[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1244956
2-[2-[(Z)-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6140963
2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenoxy]acetic acid
CID 63745847

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 9258441) is 2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1/C=N\NC(=O)CN1CCCc2ccccc21.
What is the InChIKey of 2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is GDVNTQIMLHPBBE-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-19(13-23-11-5-8-15-6-1-3-9-17(15)23)22-21-12-16-7-2-4-10-18(16)27-14-20(25)26/h1-4,6-7,9-10,12H,5,8,11,13-14H2,(H,22,24)(H,25,26)/b21-12-.
What are the key properties of 2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 367.41 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 9258441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).