1,4-dioxane;quinoline

C13H15NO2 — CID 67077004

IUPAC1,4-dioxane;quinoline
SMILESC1COCCO1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C4H8O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-6-4-3-5-1/h1-7H;1-4H2
InChIKeyYNZVCDNHTKQCNE-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.27
Rot. Bonds

About 1,4-dioxane;quinoline

1,4-dioxane;quinoline (PubChem CID 67077004) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1,4-dioxane;quinoline.

Molecular Properties

Compound Name1,4-dioxane;quinoline
PubChem CID67077004
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1,4-dioxane;quinoline
SMILESC1COCCO1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C4H8O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-6-4-3-5-1/h1-7H;1-4H2
InChIKeyYNZVCDNHTKQCNE-UHFFFAOYSA-N
XLogP2.27
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;quinoline?
The IUPAC name of 1,4-dioxane;quinoline (CID 67077004) is 1,4-dioxane;quinoline.
What is the SMILES notation for 1,4-dioxane;quinoline?
The canonical SMILES for 1,4-dioxane;quinoline is C1COCCO1.c1ccc2ncccc2c1.
What is the InChIKey of 1,4-dioxane;quinoline?
The InChIKey is YNZVCDNHTKQCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C4H8O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-6-4-3-5-1/h1-7H;1-4H2.
What are the key properties of 1,4-dioxane;quinoline?
1,4-dioxane;quinoline has a molecular weight of 217.27 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;quinoline is sourced from PubChem (CID 67077004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).