5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline

C15H17N3O2 — CID 106542351

IUPAC5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline
SMILESCC1CNCCN1c1nccc2cc3c(cc12)OCO3
InChIInChI=1S/C15H17N3O2/c1-10-8-16-4-5-18(10)15-12-7-14-13(19-9-20-14)6-11(12)2-3-17-15/h2-3,6-7,10,16H,4-5,8-9H2,1H3
InChIKeyXVEMWGMTFJTIMK-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.76
Rot. Bonds1

About 5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline

5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline (PubChem CID 106542351) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline.

Molecular Properties

Compound Name5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline
PubChem CID106542351
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline
SMILESCC1CNCCN1c1nccc2cc3c(cc12)OCO3
InChIInChI=1S/C15H17N3O2/c1-10-8-16-4-5-18(10)15-12-7-14-13(19-9-20-14)6-11(12)2-3-17-15/h2-3,6-7,10,16H,4-5,8-9H2,1H3
InChIKeyXVEMWGMTFJTIMK-UHFFFAOYSA-N
XLogP1.76
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline?
The IUPAC name of 5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline (CID 106542351) is 5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline.
What is the SMILES notation for 5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline?
The canonical SMILES for 5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline is CC1CNCCN1c1nccc2cc3c(cc12)OCO3.
What is the InChIKey of 5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline?
The InChIKey is XVEMWGMTFJTIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-8-16-4-5-18(10)15-12-7-14-13(19-9-20-14)6-11(12)2-3-17-15/h2-3,6-7,10,16H,4-5,8-9H2,1H3.
What are the key properties of 5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline?
5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline has a molecular weight of 271.32 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline is sourced from PubChem (CID 106542351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).