N'-(7-ethoxy-2-methylquinolin-4-yl)pyridine-2-sulfonohydrazide

C17H18N4O3S — CID 54587548

IUPACN'-(7-ethoxy-2-methylquinolin-4-yl)pyridine-2-sulfonohydrazide
SMILESCCOc1ccc2c(NNS(=O)(=O)c3ccccn3)cc(C)nc2c1
InChIInChI=1S/C17H18N4O3S/c1-3-24-13-7-8-14-15(11-13)19-12(2)10-16(14)20-21-25(22,23)17-6-4-5-9-18-17/h4-11,21H,3H2,1-2H3,(H,19,20)
InChIKeyFPDVQFVARAYFIB-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.64
Rot. Bonds6

About N'-(7-ethoxy-2-methylquinolin-4-yl)pyridine-2-sulfonohydrazide

N'-(7-ethoxy-2-methylquinolin-4-yl)pyridine-2-sulfonohydrazide (PubChem CID 54587548) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N'-(7-ethoxy-2-methylquinolin-4-yl)pyridine-2-sulfonohydrazide.

Molecular Properties

Compound NameN'-(7-ethoxy-2-methylquinolin-4-yl)pyridine-2-sulfonohydrazide
PubChem CID54587548
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN'-(7-ethoxy-2-methylquinolin-4-yl)pyridine-2-sulfonohydrazide
SMILESCCOc1ccc2c(NNS(=O)(=O)c3ccccn3)cc(C)nc2c1
InChIInChI=1S/C17H18N4O3S/c1-3-24-13-7-8-14-15(11-13)19-12(2)10-16(14)20-21-25(22,23)17-6-4-5-9-18-17/h4-11,21H,3H2,1-2H3,(H,19,20)
InChIKeyFPDVQFVARAYFIB-UHFFFAOYSA-N
XLogP2.64
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.64
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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Frequently Asked Questions

What is the IUPAC name of N'-(7-ethoxy-2-methylquinolin-4-yl)pyridine-2-sulfonohydrazide?
The IUPAC name of N'-(7-ethoxy-2-methylquinolin-4-yl)pyridine-2-sulfonohydrazide (CID 54587548) is N'-(7-ethoxy-2-methylquinolin-4-yl)pyridine-2-sulfonohydrazide.
What is the SMILES notation for N'-(7-ethoxy-2-methylquinolin-4-yl)pyridine-2-sulfonohydrazide?
The canonical SMILES for N'-(7-ethoxy-2-methylquinolin-4-yl)pyridine-2-sulfonohydrazide is CCOc1ccc2c(NNS(=O)(=O)c3ccccn3)cc(C)nc2c1.
What is the InChIKey of N'-(7-ethoxy-2-methylquinolin-4-yl)pyridine-2-sulfonohydrazide?
The InChIKey is FPDVQFVARAYFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-3-24-13-7-8-14-15(11-13)19-12(2)10-16(14)20-21-25(22,23)17-6-4-5-9-18-17/h4-11,21H,3H2,1-2H3,(H,19,20).
What are the key properties of N'-(7-ethoxy-2-methylquinolin-4-yl)pyridine-2-sulfonohydrazide?
N'-(7-ethoxy-2-methylquinolin-4-yl)pyridine-2-sulfonohydrazide has a molecular weight of 358.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-ethoxy-2-methylquinolin-4-yl)pyridine-2-sulfonohydrazide is sourced from PubChem (CID 54587548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).