2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide

C20H18ClN3O2 — CID 32925933

IUPAC2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C20H18ClN3O2/c1-12-14-7-4-6-10-18(14)22-13(2)16(12)11-19(25)23-24-20(26)15-8-3-5-9-17(15)21/h3-10H,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGGXITVVJWICXGP-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.51
Rot. Bonds3

About 2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide

2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide (PubChem CID 32925933) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide
PubChem CID32925933
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C20H18ClN3O2/c1-12-14-7-4-6-10-18(14)22-13(2)16(12)11-19(25)23-24-20(26)15-8-3-5-9-17(15)21/h3-10H,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGGXITVVJWICXGP-UHFFFAOYSA-N
XLogP3.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.51
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

2-chloro-N'-[2-(2,6-dichlorophenyl)acetyl]benzohydrazide
CID 35929309
N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 8885866
2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 18160718
2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 17393557
N-(2-bromophenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 31289097
2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide
CID 8886793
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 18163674
N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 55726824
2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 35006428
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 18289526
2-(2,4-dimethylquinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 27256543
N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 27861043

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide (CID 32925933) is 2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide is Cc1nc2ccccc2c(C)c1CC(=O)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide?
The InChIKey is GGXITVVJWICXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-12-14-7-4-6-10-18(14)22-13(2)16(12)11-19(25)23-24-20(26)15-8-3-5-9-17(15)21/h3-10H,11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide?
2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide has a molecular weight of 367.84 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 32925933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).