2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C20H22FNO3 — CID 138055054

IUPAC2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CC(CO)Cc3cccc(F)c32)cc1
InChIInChI=1S/C20H22FNO3/c1-2-25-17-8-6-14(7-9-17)11-19(24)22-12-15(13-23)10-16-4-3-5-18(21)20(16)22/h3-9,15,23H,2,10-13H2,1H3
InChIKeyDZIOISQBWXYXBZ-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 138055054) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID138055054
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CC(CO)Cc3cccc(F)c32)cc1
InChIInChI=1S/C20H22FNO3/c1-2-25-17-8-6-14(7-9-17)11-19(24)22-12-15(13-23)10-16-4-3-5-18(21)20(16)22/h3-9,15,23H,2,10-13H2,1H3
InChIKeyDZIOISQBWXYXBZ-UHFFFAOYSA-N
XLogP2.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 138055054) is 2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CC(CO)Cc3cccc(F)c32)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is DZIOISQBWXYXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-2-25-17-8-6-14(7-9-17)11-19(24)22-12-15(13-23)10-16-4-3-5-18(21)20(16)22/h3-9,15,23H,2,10-13H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 343.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 138055054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).