(8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

C24H20N2O4 — CID 58224165

IUPAC(8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCc1cccnc1CN1C(=O)[C@@]2(COc3cc4c(cc32)OCCO4)c2ccccc21
InChIInChI=1S/C24H20N2O4/c1-15-5-4-8-25-18(15)13-26-19-7-3-2-6-16(19)24(23(26)27)14-30-20-12-22-21(11-17(20)24)28-9-10-29-22/h2-8,11-12H,9-10,13-14H2,1H3/t24-/m0/s1
InChIKeyGSMKGPYSHLBEEC-DEOSSOPVSA-N
MW400.43 g/mol
LogP3.39
Rot. Bonds2

About (8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

(8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (PubChem CID 58224165) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is (8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name(8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
PubChem CID58224165
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name(8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCc1cccnc1CN1C(=O)[C@@]2(COc3cc4c(cc32)OCCO4)c2ccccc21
InChIInChI=1S/C24H20N2O4/c1-15-5-4-8-25-18(15)13-26-19-7-3-2-6-16(19)24(23(26)27)14-30-20-12-22-21(11-17(20)24)28-9-10-29-22/h2-8,11-12H,9-10,13-14H2,1H3/t24-/m0/s1
InChIKeyGSMKGPYSHLBEEC-DEOSSOPVSA-N
XLogP3.39
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The IUPAC name of (8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (CID 58224165) is (8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.
What is the SMILES notation for (8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The canonical SMILES for (8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is Cc1cccnc1CN1C(=O)[C@@]2(COc3cc4c(cc32)OCCO4)c2ccccc21.
What is the InChIKey of (8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The InChIKey is GSMKGPYSHLBEEC-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-15-5-4-8-25-18(15)13-26-19-7-3-2-6-16(19)24(23(26)27)14-30-20-12-22-21(11-17(20)24)28-9-10-29-22/h2-8,11-12H,9-10,13-14H2,1H3/t24-/m0/s1.
What are the key properties of (8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
(8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one has a molecular weight of 400.43 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is sourced from PubChem (CID 58224165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).