(2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide

C16H18N2O4 — CID 125176289

IUPAC(2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide
SMILESO=C(NCCOc1cccc2cccnc12)[C@@H]1COCCO1
InChIInChI=1S/C16H18N2O4/c19-16(14-11-20-9-10-22-14)18-7-8-21-13-5-1-3-12-4-2-6-17-15(12)13/h1-6,14H,7-11H2,(H,18,19)/t14-/m0/s1
InChIKeyOZXKFOAAFMDHFN-AWEZNQCLSA-N
MW302.33 g/mol
LogP1.15
Rot. Bonds5

About (2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide

(2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide (PubChem CID 125176289) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide
PubChem CID125176289
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide
SMILESO=C(NCCOc1cccc2cccnc12)[C@@H]1COCCO1
InChIInChI=1S/C16H18N2O4/c19-16(14-11-20-9-10-22-14)18-7-8-21-13-5-1-3-12-4-2-6-17-15(12)13/h1-6,14H,7-11H2,(H,18,19)/t14-/m0/s1
InChIKeyOZXKFOAAFMDHFN-AWEZNQCLSA-N
XLogP1.15
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of (2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide (CID 125176289) is (2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide is O=C(NCCOc1cccc2cccnc12)[C@@H]1COCCO1.
What is the InChIKey of (2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide?
The InChIKey is OZXKFOAAFMDHFN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-16(14-11-20-9-10-22-14)18-7-8-21-13-5-1-3-12-4-2-6-17-15(12)13/h1-6,14H,7-11H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide?
(2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 125176289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).