2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol

C13H19NO — CID 117193943

IUPAC2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol
SMILESCCC1(C)CC(C)c2cccc(O)c2N1
InChIInChI=1S/C13H19NO/c1-4-13(3)8-9(2)10-6-5-7-11(15)12(10)14-13/h5-7,9,14-15H,4,8H2,1-3H3
InChIKeyKCWVDWQFGYOTTA-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.48
Rot. Bonds1

About 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol

2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol (PubChem CID 117193943) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol.

Molecular Properties

Compound Name2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol
PubChem CID117193943
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol
SMILESCCC1(C)CC(C)c2cccc(O)c2N1
InChIInChI=1S/C13H19NO/c1-4-13(3)8-9(2)10-6-5-7-11(15)12(10)14-13/h5-7,9,14-15H,4,8H2,1-3H3
InChIKeyKCWVDWQFGYOTTA-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol?
The IUPAC name of 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol (CID 117193943) is 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol.
What is the SMILES notation for 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol?
The canonical SMILES for 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol is CCC1(C)CC(C)c2cccc(O)c2N1.
What is the InChIKey of 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol?
The InChIKey is KCWVDWQFGYOTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-13(3)8-9(2)10-6-5-7-11(15)12(10)14-13/h5-7,9,14-15H,4,8H2,1-3H3.
What are the key properties of 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol?
2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol has a molecular weight of 205.30 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol is sourced from PubChem (CID 117193943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).