N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide

C21H21N3O4S — CID 3168483

IUPACN'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide
SMILESCOc1ccc2nc(C)cc(SCC(=O)NNC(=O)COc3ccccc3)c2c1
InChIInChI=1S/C21H21N3O4S/c1-14-10-19(17-11-16(27-2)8-9-18(17)22-14)29-13-21(26)24-23-20(25)12-28-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCZKSZVBYPCBSHS-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.87
Rot. Bonds7

About N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide

N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide (PubChem CID 3168483) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide.

Molecular Properties

Compound NameN'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide
PubChem CID3168483
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide
SMILESCOc1ccc2nc(C)cc(SCC(=O)NNC(=O)COc3ccccc3)c2c1
InChIInChI=1S/C21H21N3O4S/c1-14-10-19(17-11-16(27-2)8-9-18(17)22-14)29-13-21(26)24-23-20(25)12-28-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCZKSZVBYPCBSHS-UHFFFAOYSA-N
XLogP2.87
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.87
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

N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 3168482
ethyl 2-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]acetate
CID 3168833
propan-2-yl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate
CID 864465
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 135468605
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 1130754
4-[[1-carboxy-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylethyl]amino]-4-oxobutanoic acid
CID 22109432
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 136791930
(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-(6-methoxy-2-methylquinolin-4-yl)sulfanylpropanoic acid
CID 42536978
N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide
CID 2546662
N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide
CID 110001393
2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide
CID 42537952
2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 3168485

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide?
The IUPAC name of N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide (CID 3168483) is N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide.
What is the SMILES notation for N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide?
The canonical SMILES for N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide is COc1ccc2nc(C)cc(SCC(=O)NNC(=O)COc3ccccc3)c2c1.
What is the InChIKey of N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide?
The InChIKey is CZKSZVBYPCBSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-14-10-19(17-11-16(27-2)8-9-18(17)22-14)29-13-21(26)24-23-20(25)12-28-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide?
N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide has a molecular weight of 411.48 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide is sourced from PubChem (CID 3168483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).