2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine

C22H24N2O — CID 118724314

IUPAC2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc2c(c1)CN(CCCN1CCc3oc4ccccc4c3C1)C2
InChIInChI=1S/C22H24N2O/c1-2-7-18-15-24(14-17(18)6-1)12-5-11-23-13-10-22-20(16-23)19-8-3-4-9-21(19)25-22/h1-4,6-9H,5,10-16H2
InChIKeyNAHFFBVGHJZTNG-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.20
Rot. Bonds4

About 2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine

2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine (PubChem CID 118724314) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
PubChem CID118724314
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc2c(c1)CN(CCCN1CCc3oc4ccccc4c3C1)C2
InChIInChI=1S/C22H24N2O/c1-2-7-18-15-24(14-17(18)6-1)12-5-11-23-13-10-22-20(16-23)19-8-3-4-9-21(19)25-22/h1-4,6-9H,5,10-16H2
InChIKeyNAHFFBVGHJZTNG-UHFFFAOYSA-N
XLogP4.20
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine (CID 118724314) is 2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine is c1ccc2c(c1)CN(CCCN1CCc3oc4ccccc4c3C1)C2.
What is the InChIKey of 2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The InChIKey is NAHFFBVGHJZTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-2-7-18-15-24(14-17(18)6-1)12-5-11-23-13-10-22-20(16-23)19-8-3-4-9-21(19)25-22/h1-4,6-9H,5,10-16H2.
What are the key properties of 2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine has a molecular weight of 332.45 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 118724314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).