5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline

C15H16N2O3 — CID 106542072

IUPAC5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline
SMILESc1cc2cc3c(cc2c(OCC2CCNC2)n1)OCO3
InChIInChI=1S/C15H16N2O3/c1-3-16-7-10(1)8-18-15-12-6-14-13(19-9-20-14)5-11(12)2-4-17-15/h2,4-6,10,16H,1,3,7-9H2
InChIKeyZDQWBGYSFJQJKW-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.95
Rot. Bonds3

About 5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline

5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline (PubChem CID 106542072) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline.

Molecular Properties

Compound Name5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline
PubChem CID106542072
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline
SMILESc1cc2cc3c(cc2c(OCC2CCNC2)n1)OCO3
InChIInChI=1S/C15H16N2O3/c1-3-16-7-10(1)8-18-15-12-6-14-13(19-9-20-14)5-11(12)2-4-17-15/h2,4-6,10,16H,1,3,7-9H2
InChIKeyZDQWBGYSFJQJKW-UHFFFAOYSA-N
XLogP1.95
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline with MolForge

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Related Compounds

1-(piperidin-4-ylmethoxy)isoquinoline-7-carbonitrile
CID 82569764
6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 106542165
1-(piperidin-4-ylmethoxy)isoquinoline-6-carbonitrile
CID 82569767
3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine
CID 106542173
6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 116995476
5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline
CID 106542351
6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline
CID 106542215
3-methyl-2-(pyrrolidin-3-ylmethoxy)quinoline
CID 63228996
5-(pyrrolidin-3-ylmethoxy)-1,2-benzoxazole
CID 84683617
5-(pyrrolidin-3-ylmethoxy)-1,2-benzothiazole
CID 84697866
2-methoxy-3-(pyrrolidin-3-ylmethoxy)quinoxaline
CID 71643111
2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline
CID 97164916

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline?
The IUPAC name of 5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline (CID 106542072) is 5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline.
What is the SMILES notation for 5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline?
The canonical SMILES for 5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline is c1cc2cc3c(cc2c(OCC2CCNC2)n1)OCO3.
What is the InChIKey of 5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline?
The InChIKey is ZDQWBGYSFJQJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-16-7-10(1)8-18-15-12-6-14-13(19-9-20-14)5-11(12)2-4-17-15/h2,4-6,10,16H,1,3,7-9H2.
What are the key properties of 5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline?
5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline has a molecular weight of 272.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline is sourced from PubChem (CID 106542072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).