(4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol

C11H15NO — CID 70161946

IUPAC(4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol
SMILESCC[C@H]1CCNc2cc(O)ccc21
InChIInChI=1S/C11H15NO/c1-2-8-5-6-12-11-7-9(13)3-4-10(8)11/h3-4,7-8,12-13H,2,5-6H2,1H3/t8-/m0/s1
InChIKeyBIVHHDHXDURQMJ-QMMMGPOBSA-N
MW177.25 g/mol
LogP2.70
Rot. Bonds1

About (4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol

(4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol (PubChem CID 70161946) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol.

Molecular Properties

Compound Name(4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol
PubChem CID70161946
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol
SMILESCC[C@H]1CCNc2cc(O)ccc21
InChIInChI=1S/C11H15NO/c1-2-8-5-6-12-11-7-9(13)3-4-10(8)11/h3-4,7-8,12-13H,2,5-6H2,1H3/t8-/m0/s1
InChIKeyBIVHHDHXDURQMJ-QMMMGPOBSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol?
The IUPAC name of (4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol (CID 70161946) is (4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol.
What is the SMILES notation for (4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol?
The canonical SMILES for (4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol is CC[C@H]1CCNc2cc(O)ccc21.
What is the InChIKey of (4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol?
The InChIKey is BIVHHDHXDURQMJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-8-5-6-12-11-7-9(13)3-4-10(8)11/h3-4,7-8,12-13H,2,5-6H2,1H3/t8-/m0/s1.
What are the key properties of (4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol?
(4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol has a molecular weight of 177.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol is sourced from PubChem (CID 70161946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).