5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one

C10H7FN2O3 — CID 162532898

IUPAC5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one
SMILESO=c1[nH]cnc2cc3c(c(F)c12)OCCO3
InChIInChI=1S/C10H7FN2O3/c11-8-7-5(12-4-13-10(7)14)3-6-9(8)16-2-1-15-6/h3-4H,1-2H2,(H,12,13,14)
InChIKeyCOYSRBINMCJBAE-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.83
Rot. Bonds

About 5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one

5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one (PubChem CID 162532898) has the molecular formula C10H7FN2O3 and a molecular weight of 222.17 g/mol. Its IUPAC name is 5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one.

Molecular Properties

Compound Name5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one
PubChem CID162532898
Molecular FormulaC10H7FN2O3
Molecular Weight222.17 g/mol
Exact Mass222.04
IUPAC Name5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one
SMILESO=c1[nH]cnc2cc3c(c(F)c12)OCCO3
InChIInChI=1S/C10H7FN2O3/c11-8-7-5(12-4-13-10(7)14)3-6-9(8)16-2-1-15-6/h3-4H,1-2H2,(H,12,13,14)
InChIKeyCOYSRBINMCJBAE-UHFFFAOYSA-N
XLogP0.83
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one?
The IUPAC name of 5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one (CID 162532898) is 5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one.
What is the SMILES notation for 5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one?
The canonical SMILES for 5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one is O=c1[nH]cnc2cc3c(c(F)c12)OCCO3.
What is the InChIKey of 5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one?
The InChIKey is COYSRBINMCJBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c11-8-7-5(12-4-13-10(7)14)3-6-9(8)16-2-1-15-6/h3-4H,1-2H2,(H,12,13,14).
What are the key properties of 5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one?
5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one has a molecular weight of 222.17 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one is sourced from PubChem (CID 162532898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).