1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone

C19H17NO3 — CID 2993304

IUPAC1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OCCOc2cccc3cccnc23)c1
InChIInChI=1S/C19H17NO3/c1-14(21)16-6-2-8-17(13-16)22-11-12-23-18-9-3-5-15-7-4-10-20-19(15)18/h2-10,13H,11-12H2,1H3
InChIKeyAYUBQUOSCVIDJN-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.90
Rot. Bonds6

About 1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone

1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone (PubChem CID 2993304) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone
PubChem CID2993304
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OCCOc2cccc3cccnc23)c1
InChIInChI=1S/C19H17NO3/c1-14(21)16-6-2-8-17(13-16)22-11-12-23-18-9-3-5-15-7-4-10-20-19(15)18/h2-10,13H,11-12H2,1H3
InChIKeyAYUBQUOSCVIDJN-UHFFFAOYSA-N
XLogP3.90
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
N-(3-acetylphenyl)-2-quinolin-8-yloxyacetamide
CID 2595236
8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline
CID 2284547
1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone
CID 28825225
1-[3-(3-chloropropoxy)phenyl]ethanone
CID 14348752
8-[2-(4-bromophenoxy)ethoxy]quinoline
CID 2289161
1-[3-(4-methoxybutoxy)phenyl]ethanone
CID 57239152
1-[3-(3-aminopropoxy)phenyl]ethanone
CID 82146512
(3-acetylphenyl) 7-methylquinoline-8-sulfonate
CID 75448226
1-(3-henicosoxyphenyl)ethanone
CID 23127401
(Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide
CID 56534634
1-[3-(2-methylsulfonylethoxy)phenyl]ethanone
CID 60917043

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone (CID 2993304) is 1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone is CC(=O)c1cccc(OCCOc2cccc3cccnc23)c1.
What is the InChIKey of 1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone?
The InChIKey is AYUBQUOSCVIDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-14(21)16-6-2-8-17(13-16)22-11-12-23-18-9-3-5-15-7-4-10-20-19(15)18/h2-10,13H,11-12H2,1H3.
What are the key properties of 1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone?
1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone has a molecular weight of 307.35 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone is sourced from PubChem (CID 2993304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).