N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide

C25H20FN3O3 — CID 26657004

IUPACN'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)Cc3ccc(F)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H20FN3O3/c1-32-19-12-8-17(9-13-19)23-15-21(20-4-2-3-5-22(20)27-23)25(31)29-28-24(30)14-16-6-10-18(26)11-7-16/h2-13,15H,14H2,1H3,(H,28,30)(H,29,31)
InChIKeyLZSJNLYICVNTTQ-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.05
Rot. Bonds5

About N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide

N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide (PubChem CID 26657004) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
PubChem CID26657004
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC NameN'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)Cc3ccc(F)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H20FN3O3/c1-32-19-12-8-17(9-13-19)23-15-21(20-4-2-3-5-22(20)27-23)25(31)29-28-24(30)14-16-6-10-18(26)11-7-16/h2-13,15H,14H2,1H3,(H,28,30)(H,29,31)
InChIKeyLZSJNLYICVNTTQ-UHFFFAOYSA-N
XLogP4.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
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

2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 31835498
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
N'-(2,5-dimethylfuran-3-carbonyl)-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 9468216
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide
CID 9077551
1-tert-butyl-3-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]thiourea
CID 9425509
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 35832298

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide (CID 26657004) is N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC(=O)Cc3ccc(F)cc3)c3ccccc3n2)cc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide?
The InChIKey is LZSJNLYICVNTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3/c1-32-19-12-8-17(9-13-19)23-15-21(20-4-2-3-5-22(20)27-23)25(31)29-28-24(30)14-16-6-10-18(26)11-7-16/h2-13,15H,14H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide?
N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide has a molecular weight of 429.45 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-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 26657004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).