2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide

C25H25N3O3 — CID 4790915

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C25H25N3O3/c29-24(17-28-16-8-12-20-11-4-6-14-22(20)28)26-27-25(30)18-31-23-15-7-5-13-21(23)19-9-2-1-3-10-19/h1-7,9-11,13-15H,8,12,16-18H2,(H,26,29)(H,27,30)
InChIKeyZRZXHZKUZRBQHL-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.33
Rot. Bonds6

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide

2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide (PubChem CID 4790915) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
PubChem CID4790915
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C25H25N3O3/c29-24(17-28-16-8-12-20-11-4-6-14-22(20)28)26-27-25(30)18-31-23-15-7-5-13-21(23)19-9-2-1-3-10-19/h1-7,9-11,13-15H,8,12,16-18H2,(H,26,29)(H,27,30)
InChIKeyZRZXHZKUZRBQHL-UHFFFAOYSA-N
XLogP3.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 7919443
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 9258441
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
CID 2323657
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-methylthiourea
CID 8659375
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide
CID 8969759
N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
CID 9159803
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
N-cyclohexyl-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686666
N'-[2-(2-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 3465565
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide (CID 4790915) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide is O=C(COc1ccccc1-c1ccccc1)NNC(=O)CN1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The InChIKey is ZRZXHZKUZRBQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-24(17-28-16-8-12-20-11-4-6-14-22(20)28)26-27-25(30)18-31-23-15-7-5-13-21(23)19-9-2-1-3-10-19/h1-7,9-11,13-15H,8,12,16-18H2,(H,26,29)(H,27,30).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide has a molecular weight of 415.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 4790915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).