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

C15H16N2O2 — CID 116995476

IUPAC6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
SMILESc1cc2cc3c(cc2c(C2CCNC2)n1)OCCO3
InChIInChI=1S/C15H16N2O2/c1-3-16-9-11(1)15-12-8-14-13(18-5-6-19-14)7-10(12)2-4-17-15/h2,4,7-8,11,16H,1,3,5-6,9H2
InChIKeyAFVPTBMHKIBDON-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.08
Rot. Bonds1

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

6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline (PubChem CID 116995476) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline.

Molecular Properties

Compound Name6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
PubChem CID116995476
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
SMILESc1cc2cc3c(cc2c(C2CCNC2)n1)OCCO3
InChIInChI=1S/C15H16N2O2/c1-3-16-9-11(1)15-12-8-14-13(18-5-6-19-14)7-10(12)2-4-17-15/h2,4,7-8,11,16H,1,3,5-6,9H2
InChIKeyAFVPTBMHKIBDON-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 116995475
7-methoxy-1-pyrrolidin-3-ylisoquinoline
CID 116995292
6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 106542165
5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline
CID 106542072
1-piperidin-3-ylisoquinoline
CID 84782419
2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-ylmethanethiol
CID 116995483
5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline
CID 106542351
2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline-6-carboxylic acid
CID 82572007
N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 92615182
2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol
CID 106541360
N-(oxan-3-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106538565
6-(3-bromopyrrolidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 106542870

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline?
The IUPAC name of 6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline (CID 116995476) is 6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline.
What is the SMILES notation for 6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline?
The canonical SMILES for 6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline is c1cc2cc3c(cc2c(C2CCNC2)n1)OCCO3.
What is the InChIKey of 6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline?
The InChIKey is AFVPTBMHKIBDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-16-9-11(1)15-12-8-14-13(18-5-6-19-14)7-10(12)2-4-17-15/h2,4,7-8,11,16H,1,3,5-6,9H2.
What are the key properties of 6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline?
6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline has a molecular weight of 256.31 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline is sourced from PubChem (CID 116995476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).