5-ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one

C17H13FN2O3 — CID 139908083

IUPAC5-ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one
SMILESCCn1c(=O)ncc2cc3c(cc21)OC(c1ccc(F)cc1)O3
InChIInChI=1S/C17H13FN2O3/c1-2-20-13-8-15-14(7-11(13)9-19-17(20)21)22-16(23-15)10-3-5-12(18)6-4-10/h3-9,16H,2H2,1H3
InChIKeyRIHYUULLEDZNCB-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.03
Rot. Bonds2

About 5-ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one

5-ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one (PubChem CID 139908083) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 5-ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one.

Molecular Properties

Compound Name5-ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one
PubChem CID139908083
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name5-ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one
SMILESCCn1c(=O)ncc2cc3c(cc21)OC(c1ccc(F)cc1)O3
InChIInChI=1S/C17H13FN2O3/c1-2-20-13-8-15-14(7-11(13)9-19-17(20)21)22-16(23-15)10-3-5-12(18)6-4-10/h3-9,16H,2H2,1H3
InChIKeyRIHYUULLEDZNCB-UHFFFAOYSA-N
XLogP3.03
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The IUPAC name of 5-ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one (CID 139908083) is 5-ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one.
What is the SMILES notation for 5-ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The canonical SMILES for 5-ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one is CCn1c(=O)ncc2cc3c(cc21)OC(c1ccc(F)cc1)O3.
What is the InChIKey of 5-ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The InChIKey is RIHYUULLEDZNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-2-20-13-8-15-14(7-11(13)9-19-17(20)21)22-16(23-15)10-3-5-12(18)6-4-10/h3-9,16H,2H2,1H3.
What are the key properties of 5-ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one?
5-ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one has a molecular weight of 312.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one is sourced from PubChem (CID 139908083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).