5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide

C20H26N2O3 — CID 138524790

IUPAC5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide
SMILESCC1(C)CC(COc2cccc3nccc(C(N)=O)c23)CC(C)(C)O1
InChIInChI=1S/C20H26N2O3/c1-19(2)10-13(11-20(3,4)25-19)12-24-16-7-5-6-15-17(16)14(18(21)23)8-9-22-15/h5-9,13H,10-12H2,1-4H3,(H2,21,23)
InChIKeyJUYBDIXBTPEXFM-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.70
Rot. Bonds4

About 5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide

5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide (PubChem CID 138524790) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide.

Molecular Properties

Compound Name5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide
PubChem CID138524790
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide
SMILESCC1(C)CC(COc2cccc3nccc(C(N)=O)c23)CC(C)(C)O1
InChIInChI=1S/C20H26N2O3/c1-19(2)10-13(11-20(3,4)25-19)12-24-16-7-5-6-15-17(16)14(18(21)23)8-9-22-15/h5-9,13H,10-12H2,1-4H3,(H2,21,23)
InChIKeyJUYBDIXBTPEXFM-UHFFFAOYSA-N
XLogP3.70
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide?
The IUPAC name of 5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide (CID 138524790) is 5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide.
What is the SMILES notation for 5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide?
The canonical SMILES for 5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide is CC1(C)CC(COc2cccc3nccc(C(N)=O)c23)CC(C)(C)O1.
What is the InChIKey of 5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide?
The InChIKey is JUYBDIXBTPEXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-19(2)10-13(11-20(3,4)25-19)12-24-16-7-5-6-15-17(16)14(18(21)23)8-9-22-15/h5-9,13H,10-12H2,1-4H3,(H2,21,23).
What are the key properties of 5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide?
5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide is sourced from PubChem (CID 138524790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).