2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol

C18H25NO2 — CID 116752573

IUPAC2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol
SMILESCCOC(CC)(CC)C(O)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C18H25NO2/c1-5-18(6-2,21-7-3)17(20)15-10-11-16-14(12-15)9-8-13(4)19-16/h8-12,17,20H,5-7H2,1-4H3
InChIKeyXIUCXBGVEWLDCH-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.17
Rot. Bonds6

About 2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol

2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol (PubChem CID 116752573) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol
PubChem CID116752573
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol
SMILESCCOC(CC)(CC)C(O)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C18H25NO2/c1-5-18(6-2,21-7-3)17(20)15-10-11-16-14(12-15)9-8-13(4)19-16/h8-12,17,20H,5-7H2,1-4H3
InChIKeyXIUCXBGVEWLDCH-UHFFFAOYSA-N
XLogP4.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol?
The IUPAC name of 2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol (CID 116752573) is 2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol?
The canonical SMILES for 2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol is CCOC(CC)(CC)C(O)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol?
The InChIKey is XIUCXBGVEWLDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-18(6-2,21-7-3)17(20)15-10-11-16-14(12-15)9-8-13(4)19-16/h8-12,17,20H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol?
2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol has a molecular weight of 287.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol is sourced from PubChem (CID 116752573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).