6-(4-fluorophenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one

C15H9FN2O3 — CID 135585421

IUPAC6-(4-fluorophenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)nc2cc3c(cc12)OCO3
InChIInChI=1S/C15H9FN2O3/c16-9-3-1-8(2-4-9)14-17-11-6-13-12(20-7-21-13)5-10(11)15(19)18-14/h1-6H,7H2,(H,17,18,19)
InChIKeyDHZJJCPICVTNAX-UHFFFAOYSA-N
MW284.25 g/mol
LogP2.46
Rot. Bonds1

About 6-(4-fluorophenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one

6-(4-fluorophenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one (PubChem CID 135585421) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one
PubChem CID135585421
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name6-(4-fluorophenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)nc2cc3c(cc12)OCO3
InChIInChI=1S/C15H9FN2O3/c16-9-3-1-8(2-4-9)14-17-11-6-13-12(20-7-21-13)5-10(11)15(19)18-14/h1-6H,7H2,(H,17,18,19)
InChIKeyDHZJJCPICVTNAX-UHFFFAOYSA-N
XLogP2.46
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-(4-fluorophenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one (CID 135585421) is 6-(4-fluorophenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-(4-fluorophenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-(4-fluorophenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one is O=c1[nH]c(-c2ccc(F)cc2)nc2cc3c(cc12)OCO3.
What is the InChIKey of 6-(4-fluorophenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The InChIKey is DHZJJCPICVTNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-9-3-1-8(2-4-9)14-17-11-6-13-12(20-7-21-13)5-10(11)15(19)18-14/h1-6H,7H2,(H,17,18,19).
What are the key properties of 6-(4-fluorophenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
6-(4-fluorophenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one has a molecular weight of 284.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 135585421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).