N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide

C18H14ClN3O2 — CID 29266373

IUPACN'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide
SMILESO=C(Cc1ccccc1Cl)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C18H14ClN3O2/c19-14-7-3-1-6-13(14)11-17(23)21-22-18(24)16-10-9-12-5-2-4-8-15(12)20-16/h1-10H,11H2,(H,21,23)(H,22,24)
InChIKeyRGSBHDZNHCTSCD-UHFFFAOYSA-N
MW339.78 g/mol
LogP2.89
Rot. Bonds3

About N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide

N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide (PubChem CID 29266373) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide
PubChem CID29266373
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC NameN'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide
SMILESO=C(Cc1ccccc1Cl)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C18H14ClN3O2/c19-14-7-3-1-6-13(14)11-17(23)21-22-18(24)16-10-9-12-5-2-4-8-15(12)20-16/h1-10H,11H2,(H,21,23)(H,22,24)
InChIKeyRGSBHDZNHCTSCD-UHFFFAOYSA-N
XLogP2.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 52.89
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-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N'-butanoylquinoline-2-carbohydrazide
CID 29266790
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide
CID 29266482
N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide
CID 35069552
N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide
CID 35070266
N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide
CID 35064538
N'-(cyclopropanecarbonyl)quinoline-2-carbohydrazide
CID 26798961
N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
CID 2707271
N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide
CID 60653534
N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065860
N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide
CID 7780075
N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide
CID 35069467

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide (CID 29266373) is N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide is O=C(Cc1ccccc1Cl)NNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide?
The InChIKey is RGSBHDZNHCTSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-14-7-3-1-6-13(14)11-17(23)21-22-18(24)16-10-9-12-5-2-4-8-15(12)20-16/h1-10H,11H2,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide?
N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide has a molecular weight of 339.78 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 29266373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).