5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline

C16H11F2NO2 — CID 73212263

IUPAC5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
SMILESFc1ccc(C2=NCCc3cc4c(cc32)OCO4)c(F)c1
InChIInChI=1S/C16H11F2NO2/c17-10-1-2-11(13(18)6-10)16-12-7-15-14(20-8-21-15)5-9(12)3-4-19-16/h1-2,5-7H,3-4,8H2
InChIKeyXATFPCDMNYIGTF-UHFFFAOYSA-N
MW287.26 g/mol
LogP3.09
Rot. Bonds1

About 5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline

5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline (PubChem CID 73212263) has the molecular formula C16H11F2NO2 and a molecular weight of 287.26 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
PubChem CID73212263
Molecular FormulaC16H11F2NO2
Molecular Weight287.26 g/mol
Exact Mass287.08
IUPAC Name5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
SMILESFc1ccc(C2=NCCc3cc4c(cc32)OCO4)c(F)c1
InChIInChI=1S/C16H11F2NO2/c17-10-1-2-11(13(18)6-10)16-12-7-15-14(20-8-21-15)5-9(12)3-4-19-16/h1-2,5-7H,3-4,8H2
InChIKeyXATFPCDMNYIGTF-UHFFFAOYSA-N
XLogP3.09
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline with MolForge

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Related Compounds

5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
CID 159763454
5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 10954648
CID 155741888
CID 155741888
7-fluoro-1-methyl-3,4-dihydroisoquinoline
CID 18613806
[3-(1,3-benzodioxol-5-ylmethyl)-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine
CID 24765273
5-[3,5-dimethoxy-4-(3-methylbut-1-enoxy)phenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 141117695
2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone
CID 7097255
ethyl 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxylate
CID 46197385
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 27555557
2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone
CID 7679266
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1222040
4,6-difluoro-1,3-benzodioxole
CID 90413773

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline?
The IUPAC name of 5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline (CID 73212263) is 5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline.
What is the SMILES notation for 5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline?
The canonical SMILES for 5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline is Fc1ccc(C2=NCCc3cc4c(cc32)OCO4)c(F)c1.
What is the InChIKey of 5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline?
The InChIKey is XATFPCDMNYIGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2/c17-10-1-2-11(13(18)6-10)16-12-7-15-14(20-8-21-15)5-9(12)3-4-19-16/h1-2,5-7H,3-4,8H2.
What are the key properties of 5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline?
5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline has a molecular weight of 287.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline is sourced from PubChem (CID 73212263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).