1-[4-(3-quinolin-8-yloxypropoxy)phenyl]ethanone

C20H19NO3 — CID 2992950

IUPAC1-[4-(3-quinolin-8-yloxypropoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCCCOc2cccc3cccnc23)cc1
InChIInChI=1S/C20H19NO3/c1-15(22)16-8-10-18(11-9-16)23-13-4-14-24-19-7-2-5-17-6-3-12-21-20(17)19/h2-3,5-12H,4,13-14H2,1H3
InChIKeyNMLSVTUCTNWDJI-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.29
Rot. Bonds7

About 1-[4-(3-quinolin-8-yloxypropoxy)phenyl]ethanone

1-[4-(3-quinolin-8-yloxypropoxy)phenyl]ethanone (PubChem CID 2992950) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[4-(3-quinolin-8-yloxypropoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-quinolin-8-yloxypropoxy)phenyl]ethanone
PubChem CID2992950
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-[4-(3-quinolin-8-yloxypropoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCCCOc2cccc3cccnc23)cc1
InChIInChI=1S/C20H19NO3/c1-15(22)16-8-10-18(11-9-16)23-13-4-14-24-19-7-2-5-17-6-3-12-21-20(17)19/h2-3,5-12H,4,13-14H2,1H3
InChIKeyNMLSVTUCTNWDJI-UHFFFAOYSA-N
XLogP4.29
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-quinolin-8-yloxypropoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(3-quinolin-8-yloxypropoxy)phenyl]ethanone (CID 2992950) is 1-[4-(3-quinolin-8-yloxypropoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3-quinolin-8-yloxypropoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(3-quinolin-8-yloxypropoxy)phenyl]ethanone is CC(=O)c1ccc(OCCCOc2cccc3cccnc23)cc1.
What is the InChIKey of 1-[4-(3-quinolin-8-yloxypropoxy)phenyl]ethanone?
The InChIKey is NMLSVTUCTNWDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-15(22)16-8-10-18(11-9-16)23-13-4-14-24-19-7-2-5-17-6-3-12-21-20(17)19/h2-3,5-12H,4,13-14H2,1H3.
What are the key properties of 1-[4-(3-quinolin-8-yloxypropoxy)phenyl]ethanone?
1-[4-(3-quinolin-8-yloxypropoxy)phenyl]ethanone has a molecular weight of 321.38 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-quinolin-8-yloxypropoxy)phenyl]ethanone is sourced from PubChem (CID 2992950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).