N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide

C21H16ClN5O3 — CID 35069467

IUPACN'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide
SMILESO=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C21H16ClN5O3/c22-15-8-5-14(6-9-15)20-24-19(30-27-20)12-11-18(28)25-26-21(29)17-10-7-13-3-1-2-4-16(13)23-17/h1-10H,11-12H2,(H,25,28)(H,26,29)
InChIKeyGTXVGKDPGLCTFX-UHFFFAOYSA-N
MW421.84 g/mol
LogP3.33
Rot. Bonds5

About N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide

N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide (PubChem CID 35069467) has the molecular formula C21H16ClN5O3 and a molecular weight of 421.84 g/mol. Its IUPAC name is N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide
PubChem CID35069467
Molecular FormulaC21H16ClN5O3
Molecular Weight421.84 g/mol
Exact Mass421.09
IUPAC NameN'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide
SMILESO=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C21H16ClN5O3/c22-15-8-5-14(6-9-15)20-24-19(30-27-20)12-11-18(28)25-26-21(29)17-10-7-13-3-1-2-4-16(13)23-17/h1-10H,11-12H2,(H,25,28)(H,26,29)
InChIKeyGTXVGKDPGLCTFX-UHFFFAOYSA-N
XLogP3.33
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 41467160
N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-(dimethylamino)benzohydrazide
CID 2797349
N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340
N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 137026775
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-phenylsulfanylpropyl)propanamide
CID 27828864
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-ynylpropanamide
CID 18110149
N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide
CID 35070266
sodium 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 162665177
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-chlorophenyl)propanamide
CID 100759437
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 99641746
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 51219329

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide (CID 35069467) is N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide is O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide?
The InChIKey is GTXVGKDPGLCTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O3/c22-15-8-5-14(6-9-15)20-24-19(30-27-20)12-11-18(28)25-26-21(29)17-10-7-13-3-1-2-4-16(13)23-17/h1-10H,11-12H2,(H,25,28)(H,26,29).
What are the key properties of N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide?
N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide has a molecular weight of 421.84 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 35069467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).