6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline

C15H16N2O2 — CID 116995475

IUPAC6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
SMILESc1cc2cc3c(cc2c(C2CCCN2)n1)OCCO3
InChIInChI=1S/C15H16N2O2/c1-2-12(16-4-1)15-11-9-14-13(18-6-7-19-14)8-10(11)3-5-17-15/h3,5,8-9,12,16H,1-2,4,6-7H2
InChIKeyRIHQCPZIFXXQNV-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.43
Rot. Bonds1

About 6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline

6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline (PubChem CID 116995475) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline.

Molecular Properties

Compound Name6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
PubChem CID116995475
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
SMILESc1cc2cc3c(cc2c(C2CCCN2)n1)OCCO3
InChIInChI=1S/C15H16N2O2/c1-2-12(16-4-1)15-11-9-14-13(18-6-7-19-14)8-10(11)3-5-17-15/h3,5,8-9,12,16H,1-2,4,6-7H2
InChIKeyRIHQCPZIFXXQNV-UHFFFAOYSA-N
XLogP2.43
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 116995476
6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 106542165
1-(azetidin-2-yl)isoquinoline
CID 55293778
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650666
2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-ylmethanethiol
CID 116995483
2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 117371289
2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline-6-carboxylic acid
CID 82572007
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 51716217
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387275
2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol
CID 106541360
1-methoxy-7-pyrrolidin-2-ylisoquinoline
CID 117329098

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline?
The IUPAC name of 6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline (CID 116995475) is 6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline.
What is the SMILES notation for 6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline?
The canonical SMILES for 6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline is c1cc2cc3c(cc2c(C2CCCN2)n1)OCCO3.
What is the InChIKey of 6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline?
The InChIKey is RIHQCPZIFXXQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-12(16-4-1)15-11-9-14-13(18-6-7-19-14)8-10(11)3-5-17-15/h3,5,8-9,12,16H,1-2,4,6-7H2.
What are the key properties of 6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline?
6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline has a molecular weight of 256.31 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline is sourced from PubChem (CID 116995475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).