N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide

C16H19N3O3S — CID 855603

IUPACN'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide
SMILESCCc1cc2ccc(OC)cc2nc1SCC(=O)NNC(C)=O
InChIInChI=1S/C16H19N3O3S/c1-4-11-7-12-5-6-13(22-3)8-14(12)17-16(11)23-9-15(21)19-18-10(2)20/h5-8H,4,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYGFRKNJXXKPZHJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.07
Rot. Bonds5

About N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide

N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide (PubChem CID 855603) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide
PubChem CID855603
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide
SMILESCCc1cc2ccc(OC)cc2nc1SCC(=O)NNC(C)=O
InChIInChI=1S/C16H19N3O3S/c1-4-11-7-12-5-6-13(22-3)8-14(12)17-16(11)23-9-15(21)19-18-10(2)20/h5-8H,4,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYGFRKNJXXKPZHJ-UHFFFAOYSA-N
XLogP2.07
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetic acid, 2-[(6-methoxy-4-methyl-2-quinolinyl)thio]-, hydrazide
CID 944480
7-Ethoxy-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-quinoline-3-carbonitrile
CID 648826
7-Ethoxy-2-[2-(4-methyl-piperidin-1-yl)-2-oxo-ethylsulfanyl]-quinoline-3-carbonitrile
CID 648869
(3-Cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetic acid ethyl ester
CID 651177
(3-Cyano-7-ethoxy-quinolin-2-ylsulfanyl)-acetic acid methyl ester
CID 656128
(3-Cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetic acid methyl ester
CID 656385
N-(4-methoxyphenyl)-3-(2-quinolinylthio)propanamide
CID 890011
Phenyl-acetic acid N'-[2-(3-cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetyl]-hydrazide
CID 1374312
2-(3-Benzyl-quinolin-2-ylsulfanyl)-N-(2,5-dimethoxy-phenyl)-acetamide
CID 1440307
2-(3-Benzyl-quinolin-2-ylsulfanyl)-N-(3,5-dimethoxy-phenyl)-acetamide
CID 1440330
2-(7-Methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
CID 2083100
2-(7-Methoxy-4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone
CID 2087886

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide?
The IUPAC name of N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide (CID 855603) is N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide.
What is the SMILES notation for N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide?
The canonical SMILES for N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide is CCc1cc2ccc(OC)cc2nc1SCC(=O)NNC(C)=O.
What is the InChIKey of N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide?
The InChIKey is YGFRKNJXXKPZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-4-11-7-12-5-6-13(22-3)8-14(12)17-16(11)23-9-15(21)19-18-10(2)20/h5-8H,4,9H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide?
N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide has a molecular weight of 333.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide is sourced from PubChem (CID 855603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).