[3-(1,3-dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine

C13H15N3O2 — CID 139218746

IUPAC[3-(1,3-dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine
SMILESCc1cccc2cc(C3OCCO3)c(NN)nc12
InChIInChI=1S/C13H15N3O2/c1-8-3-2-4-9-7-10(13-17-5-6-18-13)12(16-14)15-11(8)9/h2-4,7,13H,5-6,14H2,1H3,(H,15,16)
InChIKeyIIJYJZBWTLYBIF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.87
Rot. Bonds2

About [3-(1,3-dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine

[3-(1,3-dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine (PubChem CID 139218746) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [3-(1,3-dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(1,3-dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine
PubChem CID139218746
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[3-(1,3-dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine
SMILESCc1cccc2cc(C3OCCO3)c(NN)nc12
InChIInChI=1S/C13H15N3O2/c1-8-3-2-4-9-7-10(13-17-5-6-18-13)12(16-14)15-11(8)9/h2-4,7,13H,5-6,14H2,1H3,(H,15,16)
InChIKeyIIJYJZBWTLYBIF-UHFFFAOYSA-N
XLogP1.87
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine?
The IUPAC name of [3-(1,3-dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine (CID 139218746) is [3-(1,3-dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine.
What is the SMILES notation for [3-(1,3-dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine?
The canonical SMILES for [3-(1,3-dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine is Cc1cccc2cc(C3OCCO3)c(NN)nc12.
What is the InChIKey of [3-(1,3-dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine?
The InChIKey is IIJYJZBWTLYBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-3-2-4-9-7-10(13-17-5-6-18-13)12(16-14)15-11(8)9/h2-4,7,13H,5-6,14H2,1H3,(H,15,16).
What are the key properties of [3-(1,3-dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine?
[3-(1,3-dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine has a molecular weight of 245.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine is sourced from PubChem (CID 139218746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).