3,8-bis(2-phenylethoxy)quinoline

C25H23NO2 — CID 100915268

IUPAC3,8-bis(2-phenylethoxy)quinoline
SMILESc1ccc(CCOc2cnc3c(OCCc4ccccc4)cccc3c2)cc1
InChIInChI=1S/C25H23NO2/c1-3-8-20(9-4-1)14-16-27-23-18-22-12-7-13-24(25(22)26-19-23)28-17-15-21-10-5-2-6-11-21/h1-13,18-19H,14-17H2
InChIKeyAELFLVUIWLJWJN-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.48
Rot. Bonds8

About 3,8-bis(2-phenylethoxy)quinoline

3,8-bis(2-phenylethoxy)quinoline (PubChem CID 100915268) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 3,8-bis(2-phenylethoxy)quinoline.

Molecular Properties

Compound Name3,8-bis(2-phenylethoxy)quinoline
PubChem CID100915268
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name3,8-bis(2-phenylethoxy)quinoline
SMILESc1ccc(CCOc2cnc3c(OCCc4ccccc4)cccc3c2)cc1
InChIInChI=1S/C25H23NO2/c1-3-8-20(9-4-1)14-16-27-23-18-22-12-7-13-24(25(22)26-19-23)28-17-15-21-10-5-2-6-11-21/h1-13,18-19H,14-17H2
InChIKeyAELFLVUIWLJWJN-UHFFFAOYSA-N
XLogP5.48
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,8-diethoxyquinoline
CID 45094466
3-chloro-2,6-bis(2-phenylethoxy)naphthalene
CID 121473068
2-chloro-3-(2-phenylethoxy)aniline
CID 140509914
2-(3-phenylpropoxy)naphthalene
CID 13432986
4-(2-phenylethoxy)-1H-pyrazole
CID 138985948
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
3-(2-phenoxyethyl)quinoline
CID 54129983
5-methyl-2-(2-naphthalen-1-ylethenyl)-4-(2-phenylethoxy)pyridine
CID 54130510
N-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide
CID 167468267
6,7,15,16,24,25,33,34-octakis(2-phenylethoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
CID 155397258
dimethyl-[3-(2-phenylethoxy)phenyl]borane;methane
CID 158698082
2-tert-butyl-5-(2-phenylethoxy)pyridine
CID 20709511

Frequently Asked Questions

What is the IUPAC name of 3,8-bis(2-phenylethoxy)quinoline?
The IUPAC name of 3,8-bis(2-phenylethoxy)quinoline (CID 100915268) is 3,8-bis(2-phenylethoxy)quinoline.
What is the SMILES notation for 3,8-bis(2-phenylethoxy)quinoline?
The canonical SMILES for 3,8-bis(2-phenylethoxy)quinoline is c1ccc(CCOc2cnc3c(OCCc4ccccc4)cccc3c2)cc1.
What is the InChIKey of 3,8-bis(2-phenylethoxy)quinoline?
The InChIKey is AELFLVUIWLJWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-3-8-20(9-4-1)14-16-27-23-18-22-12-7-13-24(25(22)26-19-23)28-17-15-21-10-5-2-6-11-21/h1-13,18-19H,14-17H2.
What are the key properties of 3,8-bis(2-phenylethoxy)quinoline?
3,8-bis(2-phenylethoxy)quinoline has a molecular weight of 369.46 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(2-phenylethoxy)quinoline is sourced from PubChem (CID 100915268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).