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'}

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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).