2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol

C17H23NO2 — CID 116713427

IUPAC2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol
SMILESCCOC(C(O)c1cnc2ccccc2c1)C(C)(C)C
InChIInChI=1S/C17H23NO2/c1-5-20-16(17(2,3)4)15(19)13-10-12-8-6-7-9-14(12)18-11-13/h6-11,15-16,19H,5H2,1-4H3
InChIKeyQSWUKIYIBBIIRU-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.72
Rot. Bonds4

About 2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol

2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol (PubChem CID 116713427) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol
PubChem CID116713427
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol
SMILESCCOC(C(O)c1cnc2ccccc2c1)C(C)(C)C
InChIInChI=1S/C17H23NO2/c1-5-20-16(17(2,3)4)15(19)13-10-12-8-6-7-9-14(12)18-11-13/h6-11,15-16,19H,5H2,1-4H3
InChIKeyQSWUKIYIBBIIRU-UHFFFAOYSA-N
XLogP3.72
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-quinolin-3-ylpropan-1-ol
CID 60924299
2-ethoxy-1-quinolin-3-ylpropan-1-amine
CID 64542181
(4-ethoxyphenyl)-quinolin-3-ylmethanol
CID 63893046
(2-ethoxyphenyl)-quinolin-3-ylmethanol
CID 63893818
2-ethoxy-1-quinolin-3-ylbutan-1-amine
CID 116716202
2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine
CID 116721032
1-quinolin-3-ylbutan-1-ol
CID 60924193
4-ethoxy-1-quinolin-3-ylbutan-1-ol
CID 105079383
(3-ethoxyphenyl)-quinolin-3-ylmethanol
CID 60924190
2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine
CID 116725636
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
(2-ethoxy-2-methyl-1-quinolin-3-ylpropyl)hydrazine
CID 105274101

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol?
The IUPAC name of 2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol (CID 116713427) is 2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol.
What is the SMILES notation for 2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol?
The canonical SMILES for 2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol is CCOC(C(O)c1cnc2ccccc2c1)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol?
The InChIKey is QSWUKIYIBBIIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-5-20-16(17(2,3)4)15(19)13-10-12-8-6-7-9-14(12)18-11-13/h6-11,15-16,19H,5H2,1-4H3.
What are the key properties of 2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol?
2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol is sourced from PubChem (CID 116713427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).