2,2-diethoxy-1-quinolin-8-ylethanol

C15H19NO3 — CID 81220226

IUPAC2,2-diethoxy-1-quinolin-8-ylethanol
SMILESCCOC(OCC)C(O)c1cccc2cccnc12
InChIInChI=1S/C15H19NO3/c1-3-18-15(19-4-2)14(17)12-9-5-7-11-8-6-10-16-13(11)12/h5-10,14-15,17H,3-4H2,1-2H3
InChIKeyHHMBTCPPSLHBCA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.67
Rot. Bonds6

About 2,2-diethoxy-1-quinolin-8-ylethanol

2,2-diethoxy-1-quinolin-8-ylethanol (PubChem CID 81220226) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2,2-diethoxy-1-quinolin-8-ylethanol.

Molecular Properties

Compound Name2,2-diethoxy-1-quinolin-8-ylethanol
PubChem CID81220226
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2,2-diethoxy-1-quinolin-8-ylethanol
SMILESCCOC(OCC)C(O)c1cccc2cccnc12
InChIInChI=1S/C15H19NO3/c1-3-18-15(19-4-2)14(17)12-9-5-7-11-8-6-10-16-13(11)12/h5-10,14-15,17H,3-4H2,1-2H3
InChIKeyHHMBTCPPSLHBCA-UHFFFAOYSA-N
XLogP2.67
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-1-quinolin-8-ylbutan-1-ol
CID 116710945
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290
2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol
CID 116713256
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221
2,2-diethoxy-1-quinolin-7-ylethanol
CID 81220002
2-cyclopropyl-2-ethoxy-N-methyl-1-quinolin-8-ylethanamine
CID 116723492
1-ethoxy-2-(quinolin-8-ylmethylamino)ethanol
CID 169240625
3-methoxy-1-quinolin-8-ylbutan-1-ol
CID 113391294
methyl 2-hydroxy-2-quinolin-8-ylacetate
CID 63968731
5-methyl-1-quinolin-8-ylhexan-1-ol
CID 83158737
1-cyclohexyl-2-quinolin-8-ylethane-1,2-diol
CID 103459066
2-ethoxy-1-quinolin-8-ylpropan-1-one
CID 81220113

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-1-quinolin-8-ylethanol?
The IUPAC name of 2,2-diethoxy-1-quinolin-8-ylethanol (CID 81220226) is 2,2-diethoxy-1-quinolin-8-ylethanol.
What is the SMILES notation for 2,2-diethoxy-1-quinolin-8-ylethanol?
The canonical SMILES for 2,2-diethoxy-1-quinolin-8-ylethanol is CCOC(OCC)C(O)c1cccc2cccnc12.
What is the InChIKey of 2,2-diethoxy-1-quinolin-8-ylethanol?
The InChIKey is HHMBTCPPSLHBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-18-15(19-4-2)14(17)12-9-5-7-11-8-6-10-16-13(11)12/h5-10,14-15,17H,3-4H2,1-2H3.
What are the key properties of 2,2-diethoxy-1-quinolin-8-ylethanol?
2,2-diethoxy-1-quinolin-8-ylethanol has a molecular weight of 261.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1-quinolin-8-ylethanol is sourced from PubChem (CID 81220226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).