6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline

C16H19NO3 — CID 141440483

IUPAC6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline
SMILESCc1ccc2cc(OCCC3OCCCO3)ccc2n1
InChIInChI=1S/C16H19NO3/c1-12-3-4-13-11-14(5-6-15(13)17-12)18-10-7-16-19-8-2-9-20-16/h3-6,11,16H,2,7-10H2,1H3
InChIKeyFPLXHJHNRWOMAH-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.08
Rot. Bonds4

About 6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline

6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline (PubChem CID 141440483) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline.

Molecular Properties

Compound Name6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline
PubChem CID141440483
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline
SMILESCc1ccc2cc(OCCC3OCCCO3)ccc2n1
InChIInChI=1S/C16H19NO3/c1-12-3-4-13-11-14(5-6-15(13)17-12)18-10-7-16-19-8-2-9-20-16/h3-6,11,16H,2,7-10H2,1H3
InChIKeyFPLXHJHNRWOMAH-UHFFFAOYSA-N
XLogP3.08
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline?
The IUPAC name of 6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline (CID 141440483) is 6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline.
What is the SMILES notation for 6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline?
The canonical SMILES for 6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline is Cc1ccc2cc(OCCC3OCCCO3)ccc2n1.
What is the InChIKey of 6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline?
The InChIKey is FPLXHJHNRWOMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-12-3-4-13-11-14(5-6-15(13)17-12)18-10-7-16-19-8-2-9-20-16/h3-6,11,16H,2,7-10H2,1H3.
What are the key properties of 6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline?
6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline has a molecular weight of 273.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline is sourced from PubChem (CID 141440483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).