1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(2-fluorophenyl)ethanone

C20H16FNO2 — CID 21061149

IUPAC1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)c1ccc2nc3c(cc2c1)CCCO3
InChIInChI=1S/C20H16FNO2/c21-17-6-2-1-4-13(17)12-19(23)14-7-8-18-16(10-14)11-15-5-3-9-24-20(15)22-18/h1-2,4,6-8,10-11H,3,5,9,12H2
InChIKeyOPMCWFJKNPJXRZ-UHFFFAOYSA-N
MW321.35 g/mol
LogP4.12
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(2-fluorophenyl)ethanone

1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(2-fluorophenyl)ethanone (PubChem CID 21061149) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(2-fluorophenyl)ethanone
PubChem CID21061149
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC Name1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)c1ccc2nc3c(cc2c1)CCCO3
InChIInChI=1S/C20H16FNO2/c21-17-6-2-1-4-13(17)12-19(23)14-7-8-18-16(10-14)11-15-5-3-9-24-20(15)22-18/h1-2,4,6-8,10-11H,3,5,9,12H2
InChIKeyOPMCWFJKNPJXRZ-UHFFFAOYSA-N
XLogP4.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(2-fluorophenyl)ethanone (CID 21061149) is 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(2-fluorophenyl)ethanone is O=C(Cc1ccccc1F)c1ccc2nc3c(cc2c1)CCCO3.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(2-fluorophenyl)ethanone?
The InChIKey is OPMCWFJKNPJXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2/c21-17-6-2-1-4-13(17)12-19(23)14-7-8-18-16(10-14)11-15-5-3-9-24-20(15)22-18/h1-2,4,6-8,10-11H,3,5,9,12H2.
What are the key properties of 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(2-fluorophenyl)ethanone?
1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(2-fluorophenyl)ethanone has a molecular weight of 321.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 21061149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).