2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone

C17H15NO4 — CID 7679266

IUPAC2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone
SMILESCc1ccc(C(=O)CC2=NCCc3cc4c(cc32)OCO4)o1
InChIInChI=1S/C17H15NO4/c1-10-2-3-15(22-10)14(19)8-13-12-7-17-16(20-9-21-17)6-11(12)4-5-18-13/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyMKUZLEZSYYPUSB-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.93
Rot. Bonds3

About 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone

2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone (PubChem CID 7679266) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone
PubChem CID7679266
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone
SMILESCc1ccc(C(=O)CC2=NCCc3cc4c(cc32)OCO4)o1
InChIInChI=1S/C17H15NO4/c1-10-2-3-15(22-10)14(19)8-13-12-7-17-16(20-9-21-17)6-11(12)4-5-18-13/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyMKUZLEZSYYPUSB-UHFFFAOYSA-N
XLogP2.93
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone with MolForge

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Related Compounds

2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone
CID 7097255
5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 10954648
ethyl 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxylate
CID 46197385
2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone
CID 114963390
1-(5-methylfuran-2-yl)-2-phenylethanone
CID 4610358
2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115795779
2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone
CID 114963994
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide
CID 75422884
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115779560
2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone
CID 115815694
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methylfuran-2-yl)methanone
CID 4746192
(2-bromo-3,4-dimethoxyphenyl)-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanone
CID 10740711

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone?
The IUPAC name of 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone (CID 7679266) is 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone.
What is the SMILES notation for 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone?
The canonical SMILES for 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone is Cc1ccc(C(=O)CC2=NCCc3cc4c(cc32)OCO4)o1.
What is the InChIKey of 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone?
The InChIKey is MKUZLEZSYYPUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-10-2-3-15(22-10)14(19)8-13-12-7-17-16(20-9-21-17)6-11(12)4-5-18-13/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone?
2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone has a molecular weight of 297.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone is sourced from PubChem (CID 7679266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).