1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride

C23H19ClN2O4 — CID 66642329

IUPAC1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
SMILESCc1ccc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)cn1.Cl
InChIInChI=1S/C23H18N2O4.ClH/c1-14-6-7-15(10-24-14)11-25-18-5-3-2-4-16(18)23(22(25)26)12-27-19-9-21-20(8-17(19)23)28-13-29-21;/h2-10H,11-13H2,1H3;1H
InChIKeyASYZQJHAJLSZAD-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.77
Rot. Bonds2

About 1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride

1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride (PubChem CID 66642329) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is 1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride.

Molecular Properties

Compound Name1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
PubChem CID66642329
Molecular FormulaC23H19ClN2O4
Molecular Weight422.87 g/mol
Exact Mass422.10
IUPAC Name1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
SMILESCc1ccc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)cn1.Cl
InChIInChI=1S/C23H18N2O4.ClH/c1-14-6-7-15(10-24-14)11-25-18-5-3-2-4-16(18)23(22(25)26)12-27-19-9-21-20(8-17(19)23)28-13-29-21;/h2-10H,11-13H2,1H3;1H
InChIKeyASYZQJHAJLSZAD-UHFFFAOYSA-N
XLogP3.77
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride?
The IUPAC name of 1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride (CID 66642329) is 1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride.
What is the SMILES notation for 1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride?
The canonical SMILES for 1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride is Cc1ccc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)cn1.Cl.
What is the InChIKey of 1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride?
The InChIKey is ASYZQJHAJLSZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4.ClH/c1-14-6-7-15(10-24-14)11-25-18-5-3-2-4-16(18)23(22(25)26)12-27-19-9-21-20(8-17(19)23)28-13-29-21;/h2-10H,11-13H2,1H3;1H.
What are the key properties of 1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride?
1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride has a molecular weight of 422.87 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride is sourced from PubChem (CID 66642329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).