N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide

C20H19N3O3S — CID 2546662

IUPACN'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide
SMILESCOc1ccc2c(C)cc(SCC(=O)NNC(=O)c3ccccc3)nc2c1
InChIInChI=1S/C20H19N3O3S/c1-13-10-19(21-17-11-15(26-2)8-9-16(13)17)27-12-18(24)22-23-20(25)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXAFFERWJQNUTDZ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.11
Rot. Bonds5

About N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide

N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide (PubChem CID 2546662) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide
PubChem CID2546662
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide
SMILESCOc1ccc2c(C)cc(SCC(=O)NNC(=O)c3ccccc3)nc2c1
InChIInChI=1S/C20H19N3O3S/c1-13-10-19(21-17-11-15(26-2)8-9-16(13)17)27-12-18(24)22-23-20(25)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXAFFERWJQNUTDZ-UHFFFAOYSA-N
XLogP3.11
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 2523123
3-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 3637014
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2536154
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2124643
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 4597948
N-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 5126350
ethyl 2-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1034114
N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide
CID 3168483
4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 2441284
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 7175103
N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4034341
4-[[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]methyl]benzoic acid
CID 4791146

Frequently Asked Questions

What is the IUPAC name of N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide?
The IUPAC name of N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide (CID 2546662) is N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide is COc1ccc2c(C)cc(SCC(=O)NNC(=O)c3ccccc3)nc2c1.
What is the InChIKey of N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide?
The InChIKey is XAFFERWJQNUTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-13-10-19(21-17-11-15(26-2)8-9-16(13)17)27-12-18(24)22-23-20(25)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide?
N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide has a molecular weight of 381.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 2546662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).