N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide

C21H18FN3O — CID 2318990

IUPACN'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide
SMILESO=C(NNC1=CCCC1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C21H18FN3O/c22-15-11-9-14(10-12-15)20-13-18(17-7-3-4-8-19(17)23-20)21(26)25-24-16-5-1-2-6-16/h3-5,7-13,24H,1-2,6H2,(H,25,26)
InChIKeyZAUQXVUWIZTHPG-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.34
Rot. Bonds4

About N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide

N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide (PubChem CID 2318990) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide
PubChem CID2318990
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC NameN'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide
SMILESO=C(NNC1=CCCC1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C21H18FN3O/c22-15-11-9-14(10-12-15)20-13-18(17-7-3-4-8-19(17)23-20)21(26)25-24-16-5-1-2-6-16/h3-5,7-13,24H,1-2,6H2,(H,25,26)
InChIKeyZAUQXVUWIZTHPG-UHFFFAOYSA-N
XLogP4.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 2327036
2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide
CID 154859440
2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide
CID 51922809
2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 24612009
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride
CID 119476850
N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 26657004
2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide
CID 9077551
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
2-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 18206028
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2322249

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide?
The IUPAC name of N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide (CID 2318990) is N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide.
What is the SMILES notation for N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide?
The canonical SMILES for N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide is O=C(NNC1=CCCC1)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide?
The InChIKey is ZAUQXVUWIZTHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c22-15-11-9-14(10-12-15)20-13-18(17-7-3-4-8-19(17)23-20)21(26)25-24-16-5-1-2-6-16/h3-5,7-13,24H,1-2,6H2,(H,25,26).
What are the key properties of N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide?
N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide has a molecular weight of 347.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 2318990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).