2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide

C23H17FN4O3 — CID 9077551

IUPAC2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide
SMILESO=C(Cn1ccccc1=O)NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C23H17FN4O3/c24-16-10-8-15(9-11-16)20-13-18(17-5-1-2-6-19(17)25-20)23(31)27-26-21(29)14-28-12-4-3-7-22(28)30/h1-13H,14H2,(H,26,29)(H,27,31)
InChIKeyIONLBWQEWIGBMH-UHFFFAOYSA-N
MW416.41 g/mol
LogP2.66
Rot. Bonds4

About 2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide

2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide (PubChem CID 9077551) has the molecular formula C23H17FN4O3 and a molecular weight of 416.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide
PubChem CID9077551
Molecular FormulaC23H17FN4O3
Molecular Weight416.41 g/mol
Exact Mass416.13
IUPAC Name2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide
SMILESO=C(Cn1ccccc1=O)NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C23H17FN4O3/c24-16-10-8-15(9-11-16)20-13-18(17-5-1-2-6-19(17)25-20)23(31)27-26-21(29)14-28-12-4-3-7-22(28)30/h1-13H,14H2,(H,26,29)(H,27,31)
InChIKeyIONLBWQEWIGBMH-UHFFFAOYSA-N
XLogP2.66
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 52.66
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-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 26657004
2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide
CID 154859440
2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide
CID 55333625
N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 55685382
1-[2-(dimethylamino)ethyl]-3-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]thiourea
CID 8628003
2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide
CID 60545039
N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide
CID 2309994
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 24612009
N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide
CID 2318990
2,5-dimethyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 9077511
2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide
CID 51922809

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide?
The IUPAC name of 2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide (CID 9077551) is 2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide?
The canonical SMILES for 2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide is O=C(Cn1ccccc1=O)NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide?
The InChIKey is IONLBWQEWIGBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O3/c24-16-10-8-15(9-11-16)20-13-18(17-5-1-2-6-19(17)25-20)23(31)27-26-21(29)14-28-12-4-3-7-22(28)30/h1-13H,14H2,(H,26,29)(H,27,31).
What are the key properties of 2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide?
2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide has a molecular weight of 416.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide is sourced from PubChem (CID 9077551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).