6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline

C25H24N2O2 — CID 130296443

IUPAC6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)OCC(c1ccc3c(c1)CC(c1ccc4c(c1)CCCN4)N3)O2
InChIInChI=1S/C25H24N2O2/c1-2-6-24-23(5-1)28-15-25(29-24)18-8-10-21-19(13-18)14-22(27-21)17-7-9-20-16(12-17)4-3-11-26-20/h1-2,5-10,12-13,22,25-27H,3-4,11,14-15H2
InChIKeyJUBNGMKPMAWXOK-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.27
Rot. Bonds2

About 6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline

6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline (PubChem CID 130296443) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline
PubChem CID130296443
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)OCC(c1ccc3c(c1)CC(c1ccc4c(c1)CCCN4)N3)O2
InChIInChI=1S/C25H24N2O2/c1-2-6-24-23(5-1)28-15-25(29-24)18-8-10-21-19(13-18)14-22(27-21)17-7-9-20-16(12-17)4-3-11-26-20/h1-2,5-10,12-13,22,25-27H,3-4,11,14-15H2
InChIKeyJUBNGMKPMAWXOK-UHFFFAOYSA-N
XLogP5.27
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline (CID 130296443) is 6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)OCC(c1ccc3c(c1)CC(c1ccc4c(c1)CCCN4)N3)O2.
What is the InChIKey of 6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is JUBNGMKPMAWXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-2-6-24-23(5-1)28-15-25(29-24)18-8-10-21-19(13-18)14-22(27-21)17-7-9-20-16(12-17)4-3-11-26-20/h1-2,5-10,12-13,22,25-27H,3-4,11,14-15H2.
What are the key properties of 6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline?
6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 384.48 g/mol, XLogP of 5.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 130296443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).