3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol

C16H23NO2 — CID 123400968

IUPAC3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol
SMILESC=C(CC1Cc2ccc(O)cc2N(C)C1C)OCC
InChIInChI=1S/C16H23NO2/c1-5-19-11(2)8-14-9-13-6-7-15(18)10-16(13)17(4)12(14)3/h6-7,10,12,14,18H,2,5,8-9H2,1,3-4H3
InChIKeyXLWPXCRVUSEXOX-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.33
Rot. Bonds4

About 3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol

3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol (PubChem CID 123400968) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol.

Molecular Properties

Compound Name3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol
PubChem CID123400968
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol
SMILESC=C(CC1Cc2ccc(O)cc2N(C)C1C)OCC
InChIInChI=1S/C16H23NO2/c1-5-19-11(2)8-14-9-13-6-7-15(18)10-16(13)17(4)12(14)3/h6-7,10,12,14,18H,2,5,8-9H2,1,3-4H3
InChIKeyXLWPXCRVUSEXOX-UHFFFAOYSA-N
XLogP3.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol?
The IUPAC name of 3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol (CID 123400968) is 3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol.
What is the SMILES notation for 3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol?
The canonical SMILES for 3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol is C=C(CC1Cc2ccc(O)cc2N(C)C1C)OCC.
What is the InChIKey of 3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol?
The InChIKey is XLWPXCRVUSEXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-19-11(2)8-14-9-13-6-7-15(18)10-16(13)17(4)12(14)3/h6-7,10,12,14,18H,2,5,8-9H2,1,3-4H3.
What are the key properties of 3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol?
3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol has a molecular weight of 261.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol is sourced from PubChem (CID 123400968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).