N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide

C29H22N4O3 — CID 26796355

IUPACN'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C29H22N4O3/c34-28(19-36-27-13-7-5-10-22(27)20-8-2-1-3-9-20)32-33-29(35)24-18-26(21-14-16-30-17-15-21)31-25-12-6-4-11-23(24)25/h1-18H,19H2,(H,32,34)(H,33,35)
InChIKeyCZMZOLPOEXLJKY-UHFFFAOYSA-N
MW474.52 g/mol
LogP4.80
Rot. Bonds6

About N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide

N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide (PubChem CID 26796355) has the molecular formula C29H22N4O3 and a molecular weight of 474.52 g/mol. Its IUPAC name is N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
PubChem CID26796355
Molecular FormulaC29H22N4O3
Molecular Weight474.52 g/mol
Exact Mass474.17
IUPAC NameN'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C29H22N4O3/c34-28(19-36-27-13-7-5-10-22(27)20-8-2-1-3-9-20)32-33-29(35)24-18-26(21-14-16-30-17-15-21)31-25-12-6-4-11-23(24)25/h1-18H,19H2,(H,32,34)(H,33,35)
InChIKeyCZMZOLPOEXLJKY-UHFFFAOYSA-N
XLogP4.80
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide
CID 2309994
N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
CID 25354662
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 56552567
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
CID 25394120
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261334
[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23990884

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide (CID 26796355) is N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide is O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide?
The InChIKey is CZMZOLPOEXLJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O3/c34-28(19-36-27-13-7-5-10-22(27)20-8-2-1-3-9-20)32-33-29(35)24-18-26(21-14-16-30-17-15-21)31-25-12-6-4-11-23(24)25/h1-18H,19H2,(H,32,34)(H,33,35).
What are the key properties of N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide?
N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide has a molecular weight of 474.52 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 26796355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).