6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline

C15H9FN2O2 — CID 50901206

IUPAC6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline
SMILESFc1ccc(-c2ncc3cc4c(cc3n2)OCO4)cc1
InChIInChI=1S/C15H9FN2O2/c16-11-3-1-9(2-4-11)15-17-7-10-5-13-14(20-8-19-13)6-12(10)18-15/h1-7H,8H2
InChIKeyJWXKWPFXSHEQOB-UHFFFAOYSA-N
MW268.25 g/mol
LogP3.16
Rot. Bonds1

About 6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline

6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline (PubChem CID 50901206) has the molecular formula C15H9FN2O2 and a molecular weight of 268.25 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline.

Molecular Properties

Compound Name6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline
PubChem CID50901206
Molecular FormulaC15H9FN2O2
Molecular Weight268.25 g/mol
Exact Mass268.06
IUPAC Name6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline
SMILESFc1ccc(-c2ncc3cc4c(cc3n2)OCO4)cc1
InChIInChI=1S/C15H9FN2O2/c16-11-3-1-9(2-4-11)15-17-7-10-5-13-14(20-8-19-13)6-12(10)18-15/h1-7H,8H2
InChIKeyJWXKWPFXSHEQOB-UHFFFAOYSA-N
XLogP3.16
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 42674257
N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine
CID 26336142
N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-phenylethanamine
CID 26337971
2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(5-fluoro-2-hydroxyphenyl)methanone
CID 8834709
methyl 4-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]piperazine-1-carboxylate
CID 70752566
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 1460041
N-(1,3-benzodioxol-5-ylmethyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 53126793
4-(1,3-benzodioxol-5-yloxymethyl)-2-(4-fluorophenyl)-1,3-oxazole
CID 31673534
2-(1,3-benzodioxol-5-yl)quinoxaline
CID 39776102
6-phenyl-[1,3]dioxolo[4,5-g]quinoline
CID 11953752
3-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propanenitrile
CID 94748714
4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide
CID 135509711

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline?
The IUPAC name of 6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline (CID 50901206) is 6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline.
What is the SMILES notation for 6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline?
The canonical SMILES for 6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline is Fc1ccc(-c2ncc3cc4c(cc3n2)OCO4)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline?
The InChIKey is JWXKWPFXSHEQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O2/c16-11-3-1-9(2-4-11)15-17-7-10-5-13-14(20-8-19-13)6-12(10)18-15/h1-7H,8H2.
What are the key properties of 6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline?
6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline has a molecular weight of 268.25 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline is sourced from PubChem (CID 50901206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).