N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide

C25H21N3O3 — CID 2309994

IUPACN'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H21N3O3/c1-17-9-5-8-14-23(17)31-16-24(29)27-28-25(30)20-15-22(18-10-3-2-4-11-18)26-21-13-7-6-12-19(20)21/h2-15H,16H2,1H3,(H,27,29)(H,28,30)
InChIKeyXMLQQHDYYPSVIS-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.05
Rot. Bonds5

About N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide

N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide (PubChem CID 2309994) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide
PubChem CID2309994
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H21N3O3/c1-17-9-5-8-14-23(17)31-16-24(29)27-28-25(30)20-15-22(18-10-3-2-4-11-18)26-21-13-7-6-12-19(20)21/h2-15H,16H2,1H3,(H,27,29)(H,28,30)
InChIKeyXMLQQHDYYPSVIS-UHFFFAOYSA-N
XLogP4.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.05
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

N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
CID 26796355
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 26657004
N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 9247846
N-[(4-methylphenyl)methyl]-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298662
2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 9470051
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide
CID 26713872
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
2-hydroxy-3-methyl-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide
CID 1358297
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide?
The IUPAC name of N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide (CID 2309994) is N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide?
The canonical SMILES for N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide is Cc1ccccc1OCC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide?
The InChIKey is XMLQQHDYYPSVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-17-9-5-8-14-23(17)31-16-24(29)27-28-25(30)20-15-22(18-10-3-2-4-11-18)26-21-13-7-6-12-19(20)21/h2-15H,16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide?
N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide has a molecular weight of 411.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide is sourced from PubChem (CID 2309994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).