2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone

C18H12FNO4 — CID 8834709

IUPAC2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1cnc2cc3c(cc2c1)OCCO3)c1cc(F)ccc1O
InChIInChI=1S/C18H12FNO4/c19-12-1-2-15(21)13(7-12)18(22)11-5-10-6-16-17(24-4-3-23-16)8-14(10)20-9-11/h1-2,5-9,21H,3-4H2
InChIKeyXALPYSVKVFELJQ-UHFFFAOYSA-N
MW325.30 g/mol
LogP3.08
Rot. Bonds2

About 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone

2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 8834709) has the molecular formula C18H12FNO4 and a molecular weight of 325.30 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID8834709
Molecular FormulaC18H12FNO4
Molecular Weight325.30 g/mol
Exact Mass325.08
IUPAC Name2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1cnc2cc3c(cc2c1)OCCO3)c1cc(F)ccc1O
InChIInChI=1S/C18H12FNO4/c19-12-1-2-15(21)13(7-12)18(22)11-5-10-6-16-17(24-4-3-23-16)8-14(10)20-9-11/h1-2,5-9,21H,3-4H2
InChIKeyXALPYSVKVFELJQ-UHFFFAOYSA-N
XLogP3.08
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone (CID 8834709) is 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone is O=C(c1cnc2cc3c(cc2c1)OCCO3)c1cc(F)ccc1O.
What is the InChIKey of 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is XALPYSVKVFELJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO4/c19-12-1-2-15(21)13(7-12)18(22)11-5-10-6-16-17(24-4-3-23-16)8-14(10)20-9-11/h1-2,5-9,21H,3-4H2.
What are the key properties of 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone?
2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 325.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 8834709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).