[2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol

C18H26N2O — CID 63445930

IUPAC[2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol
SMILESCCC(CC)CN(CC)c1cc(CO)c2ccccc2n1
InChIInChI=1S/C18H26N2O/c1-4-14(5-2)12-20(6-3)18-11-15(13-21)16-9-7-8-10-17(16)19-18/h7-11,14,21H,4-6,12-13H2,1-3H3
InChIKeyIGOMXGLORIPLSO-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.99
Rot. Bonds7

About [2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol

[2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol (PubChem CID 63445930) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol
PubChem CID63445930
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol
SMILESCCC(CC)CN(CC)c1cc(CO)c2ccccc2n1
InChIInChI=1S/C18H26N2O/c1-4-14(5-2)12-20(6-3)18-11-15(13-21)16-9-7-8-10-17(16)19-18/h7-11,14,21H,4-6,12-13H2,1-3H3
InChIKeyIGOMXGLORIPLSO-UHFFFAOYSA-N
XLogP3.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol?
The IUPAC name of [2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol (CID 63445930) is [2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol.
What is the SMILES notation for [2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol?
The canonical SMILES for [2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol is CCC(CC)CN(CC)c1cc(CO)c2ccccc2n1.
What is the InChIKey of [2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol?
The InChIKey is IGOMXGLORIPLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-14(5-2)12-20(6-3)18-11-15(13-21)16-9-7-8-10-17(16)19-18/h7-11,14,21H,4-6,12-13H2,1-3H3.
What are the key properties of [2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol?
[2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol has a molecular weight of 286.42 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol is sourced from PubChem (CID 63445930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).