N'-(7-ethoxy-2-methylquinolin-4-yl)pyrazine-2-carbohydrazide

C17H17N5O2 — CID 54583607

IUPACN'-(7-ethoxy-2-methylquinolin-4-yl)pyrazine-2-carbohydrazide
SMILESCCOc1ccc2c(NNC(=O)c3cnccn3)cc(C)nc2c1
InChIInChI=1S/C17H17N5O2/c1-3-24-12-4-5-13-14(9-12)20-11(2)8-15(13)21-22-17(23)16-10-18-6-7-19-16/h4-10H,3H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyZBFDHLBANYDXKD-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.49
Rot. Bonds5

About N'-(7-ethoxy-2-methylquinolin-4-yl)pyrazine-2-carbohydrazide

N'-(7-ethoxy-2-methylquinolin-4-yl)pyrazine-2-carbohydrazide (PubChem CID 54583607) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N'-(7-ethoxy-2-methylquinolin-4-yl)pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(7-ethoxy-2-methylquinolin-4-yl)pyrazine-2-carbohydrazide
PubChem CID54583607
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN'-(7-ethoxy-2-methylquinolin-4-yl)pyrazine-2-carbohydrazide
SMILESCCOc1ccc2c(NNC(=O)c3cnccn3)cc(C)nc2c1
InChIInChI=1S/C17H17N5O2/c1-3-24-12-4-5-13-14(9-12)20-11(2)8-15(13)21-22-17(23)16-10-18-6-7-19-16/h4-10H,3H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyZBFDHLBANYDXKD-UHFFFAOYSA-N
XLogP2.49
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.49
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)pyrazine-2-carbohydrazide?
The IUPAC name of N'-(7-ethoxy-2-methylquinolin-4-yl)pyrazine-2-carbohydrazide (CID 54583607) is N'-(7-ethoxy-2-methylquinolin-4-yl)pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-(7-ethoxy-2-methylquinolin-4-yl)pyrazine-2-carbohydrazide?
The canonical SMILES for N'-(7-ethoxy-2-methylquinolin-4-yl)pyrazine-2-carbohydrazide is CCOc1ccc2c(NNC(=O)c3cnccn3)cc(C)nc2c1.
What is the InChIKey of N'-(7-ethoxy-2-methylquinolin-4-yl)pyrazine-2-carbohydrazide?
The InChIKey is ZBFDHLBANYDXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-3-24-12-4-5-13-14(9-12)20-11(2)8-15(13)21-22-17(23)16-10-18-6-7-19-16/h4-10H,3H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N'-(7-ethoxy-2-methylquinolin-4-yl)pyrazine-2-carbohydrazide?
N'-(7-ethoxy-2-methylquinolin-4-yl)pyrazine-2-carbohydrazide has a molecular weight of 323.36 g/mol, XLogP of 2.49, 5 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)pyrazine-2-carbohydrazide is sourced from PubChem (CID 54583607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).