6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide

C19H15ClFN3O3 — CID 55880421

IUPAC6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C19H15ClFN3O3/c1-11(27-15-6-4-14(21)5-7-15)18(25)23-24-19(26)16-10-13(20)9-12-3-2-8-22-17(12)16/h2-11H,1H3,(H,23,25)(H,24,26)
InChIKeyJSRHTGRZJXIMCV-UHFFFAOYSA-N
MW387.80 g/mol
LogP3.26
Rot. Bonds4

About 6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide

6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide (PubChem CID 55880421) has the molecular formula C19H15ClFN3O3 and a molecular weight of 387.80 g/mol. Its IUPAC name is 6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide.

Molecular Properties

Compound Name6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide
PubChem CID55880421
Molecular FormulaC19H15ClFN3O3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC Name6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C19H15ClFN3O3/c1-11(27-15-6-4-14(21)5-7-15)18(25)23-24-19(26)16-10-13(20)9-12-3-2-8-22-17(12)16/h2-11H,1H3,(H,23,25)(H,24,26)
InChIKeyJSRHTGRZJXIMCV-UHFFFAOYSA-N
XLogP3.26
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 53.26
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

4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9088683
2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9160446
2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 4820872
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387
2,5-dichloro-N'-(2-phenoxypropanoyl)benzohydrazide
CID 18158718
N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43004127
2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9091705
5-chloro-2-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003624

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide?
The IUPAC name of 6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide (CID 55880421) is 6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide.
What is the SMILES notation for 6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide?
The canonical SMILES for 6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(Cl)cc2cccnc12.
What is the InChIKey of 6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide?
The InChIKey is JSRHTGRZJXIMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3/c1-11(27-15-6-4-14(21)5-7-15)18(25)23-24-19(26)16-10-13(20)9-12-3-2-8-22-17(12)16/h2-11H,1H3,(H,23,25)(H,24,26).
What are the key properties of 6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide?
6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide has a molecular weight of 387.80 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide is sourced from PubChem (CID 55880421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).