3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol

C17H23NO2 — CID 116752757

IUPAC3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol
SMILESCCC(CC)(OC)C(O)Cc1ccc2ccccc2n1
InChIInChI=1S/C17H23NO2/c1-4-17(5-2,20-3)16(19)12-14-11-10-13-8-6-7-9-15(13)18-14/h6-11,16,19H,4-5,12H2,1-3H3
InChIKeyBVFGRUXGEPNOJQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.34
Rot. Bonds6

About 3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol

3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol (PubChem CID 116752757) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol.

Molecular Properties

Compound Name3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol
PubChem CID116752757
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol
SMILESCCC(CC)(OC)C(O)Cc1ccc2ccccc2n1
InChIInChI=1S/C17H23NO2/c1-4-17(5-2,20-3)16(19)12-14-11-10-13-8-6-7-9-15(13)18-14/h6-11,16,19H,4-5,12H2,1-3H3
InChIKeyBVFGRUXGEPNOJQ-UHFFFAOYSA-N
XLogP3.34
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-3-methyl-1-quinolin-2-ylpentan-2-amine
CID 116758103
(2R,3R)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol
CID 97087782
(2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol
CID 98792339
3-ethyl-3-methoxy-1-phenylpentan-2-ol
CID 116752734
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
ethyl 2-methyl-3-quinolin-2-ylpropanoate
CID 59134939
3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine
CID 116724332
1-cyclopropyl-2-quinolin-2-ylethanol
CID 63353009
2-bromo-3-quinolin-2-ylpropan-1-ol
CID 119086865
2-amino-3-quinolin-2-ylpropan-1-ol
CID 64572856
1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol
CID 166010606

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol?
The IUPAC name of 3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol (CID 116752757) is 3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol.
What is the SMILES notation for 3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol?
The canonical SMILES for 3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol is CCC(CC)(OC)C(O)Cc1ccc2ccccc2n1.
What is the InChIKey of 3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol?
The InChIKey is BVFGRUXGEPNOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-17(5-2,20-3)16(19)12-14-11-10-13-8-6-7-9-15(13)18-14/h6-11,16,19H,4-5,12H2,1-3H3.
What are the key properties of 3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol?
3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol is sourced from PubChem (CID 116752757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).