7-(2,2-diethoxyethoxy)quinoline

C15H19NO3 — CID 107314200

IUPAC7-(2,2-diethoxyethoxy)quinoline
SMILESCCOC(COc1ccc2cccnc2c1)OCC
InChIInChI=1S/C15H19NO3/c1-3-17-15(18-4-2)11-19-13-8-7-12-6-5-9-16-14(12)10-13/h5-10,15H,3-4,11H2,1-2H3
InChIKeyFJUZYUHSQWEEHB-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.01
Rot. Bonds7

About 7-(2,2-diethoxyethoxy)quinoline

7-(2,2-diethoxyethoxy)quinoline (PubChem CID 107314200) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 7-(2,2-diethoxyethoxy)quinoline.

Molecular Properties

Compound Name7-(2,2-diethoxyethoxy)quinoline
PubChem CID107314200
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name7-(2,2-diethoxyethoxy)quinoline
SMILESCCOC(COc1ccc2cccnc2c1)OCC
InChIInChI=1S/C15H19NO3/c1-3-17-15(18-4-2)11-19-13-8-7-12-6-5-9-16-14(12)10-13/h5-10,15H,3-4,11H2,1-2H3
InChIKeyFJUZYUHSQWEEHB-UHFFFAOYSA-N
XLogP3.01
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
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-(quinolin-7-yloxymethyl)butane-1-sulfonamide
CID 107315542
2-(methylamino)-3-quinolin-7-yloxypropanoic acid
CID 107314757
N-ethyl-2-quinolin-7-yloxyethanamine
CID 107313475
7-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434593
1-(3-methylphenyl)-2-quinolin-7-yloxyethanol
CID 107314538
3-quinolin-7-yloxypropanal
CID 107314214
1-(2,2-diethoxyethoxy)-4-ethoxybenzene
CID 63629434
2,2-diethoxy-1-quinolin-7-ylethanol
CID 81220002
1-cyclopentyl-2-quinolin-7-yloxyethanamine
CID 107313426
3-quinolin-7-yloxypropane-1-thiol
CID 107315768
N-ethyl-6-quinolin-7-yloxyhexan-3-amine
CID 107313514
7-(dichloromethoxy)quinoline
CID 174788382

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-diethoxyethoxy)quinoline?
The IUPAC name of 7-(2,2-diethoxyethoxy)quinoline (CID 107314200) is 7-(2,2-diethoxyethoxy)quinoline.
What is the SMILES notation for 7-(2,2-diethoxyethoxy)quinoline?
The canonical SMILES for 7-(2,2-diethoxyethoxy)quinoline is CCOC(COc1ccc2cccnc2c1)OCC.
What is the InChIKey of 7-(2,2-diethoxyethoxy)quinoline?
The InChIKey is FJUZYUHSQWEEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-17-15(18-4-2)11-19-13-8-7-12-6-5-9-16-14(12)10-13/h5-10,15H,3-4,11H2,1-2H3.
What are the key properties of 7-(2,2-diethoxyethoxy)quinoline?
7-(2,2-diethoxyethoxy)quinoline has a molecular weight of 261.32 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-diethoxyethoxy)quinoline is sourced from PubChem (CID 107314200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).