N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide

C25H23N3O4S — CID 3144257

IUPACN'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide
SMILESCOc1ccc2nc(C)cc(SCC(=O)NNC(=O)COc3cccc4ccccc34)c2c1
InChIInChI=1S/C25H23N3O4S/c1-16-12-23(20-13-18(31-2)10-11-21(20)26-16)33-15-25(30)28-27-24(29)14-32-22-9-5-7-17-6-3-4-8-19(17)22/h3-13H,14-15H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyAYRBRHAXEISWPQ-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.02
Rot. Bonds7

About N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide

N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide (PubChem CID 3144257) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide.

Molecular Properties

Compound NameN'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide
PubChem CID3144257
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC NameN'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide
SMILESCOc1ccc2nc(C)cc(SCC(=O)NNC(=O)COc3cccc4ccccc34)c2c1
InChIInChI=1S/C25H23N3O4S/c1-16-12-23(20-13-18(31-2)10-11-21(20)26-16)33-15-25(30)28-27-24(29)14-32-22-9-5-7-17-6-3-4-8-19(17)22/h3-13H,14-15H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyAYRBRHAXEISWPQ-UHFFFAOYSA-N
XLogP4.02
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.02
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

Acetic acid, 2-[(6-methoxy-4-methyl-2-quinolinyl)thio]-, hydrazide
CID 944480
N-(2,6-dimethylphenyl)-2-[(6-methoxy-2-methyl-4-quinolinyl)thio]acetamide
CID 1162986
N'-(9-acridinyl)-2-(3-methylphenoxy)acetohydrazide
CID 2962367
p-Tolyloxy-acetic acid N'-[2-(6-methoxy-2-methyl-quinolin-4-ylsulfanyl)-acetyl]-hydrazide
CID 3168482
Phenoxy-acetic acid N'-[2-(6-methoxy-2-methyl-quinolin-4-ylsulfanyl)-acetyl]-hydrazide
CID 3168483
N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 9564523
(6-Methoxy-2-methyl-quinolin-4-ylsulfanyl)-acetic acid benzylidene-hydrazide
CID 9564537
(6-Methoxy-2-methyl-quinolin-4-ylsulfanyl)-acetic acid (2-methoxy-naphthalen-1-ylmethylene)-hydrazide
CID 9564538
2-[(6-methoxy-2-methyl-4-quinolyl)thio]-N-(1-naphthylmethyleneamino)acetamide
CID 9564541
N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 56683864
N-(4-ethoxyphenyl)-2-((4-methylquinolin-2-yl)thio)acetamide
CID 1135053
N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
CID 5323079

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide?
The IUPAC name of N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide (CID 3144257) is N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide.
What is the SMILES notation for N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide?
The canonical SMILES for N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide is COc1ccc2nc(C)cc(SCC(=O)NNC(=O)COc3cccc4ccccc34)c2c1.
What is the InChIKey of N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide?
The InChIKey is AYRBRHAXEISWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-16-12-23(20-13-18(31-2)10-11-21(20)26-16)33-15-25(30)28-27-24(29)14-32-22-9-5-7-17-6-3-4-8-19(17)22/h3-13H,14-15H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide?
N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide has a molecular weight of 461.54 g/mol, XLogP of 4.02, 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-naphthalen-1-yloxyacetohydrazide is sourced from PubChem (CID 3144257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).