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

C25H20FNO5 — CID 46194710

IUPAC1'-[(4-fluoro-3-methoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCOc1cc(CN2C(=O)C3(COc4cc5c(cc43)OCCO5)c3ccccc32)ccc1F
InChIInChI=1S/C25H20FNO5/c1-29-21-10-15(6-7-18(21)26)13-27-19-5-3-2-4-16(19)25(24(27)28)14-32-20-12-23-22(11-17(20)25)30-8-9-31-23/h2-7,10-12H,8-9,13-14H2,1H3
InChIKeyBNRPFJWLYVRGRV-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.83
Rot. Bonds3

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

1'-[(4-fluoro-3-methoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (PubChem CID 46194710) has the molecular formula C25H20FNO5 and a molecular weight of 433.44 g/mol. Its IUPAC name is 1'-[(4-fluoro-3-methoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(4-fluoro-3-methoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
PubChem CID46194710
Molecular FormulaC25H20FNO5
Molecular Weight433.44 g/mol
Exact Mass433.13
IUPAC Name1'-[(4-fluoro-3-methoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCOc1cc(CN2C(=O)C3(COc4cc5c(cc43)OCCO5)c3ccccc32)ccc1F
InChIInChI=1S/C25H20FNO5/c1-29-21-10-15(6-7-18(21)26)13-27-19-5-3-2-4-16(19)25(24(27)28)14-32-20-12-23-22(11-17(20)25)30-8-9-31-23/h2-7,10-12H,8-9,13-14H2,1H3
InChIKeyBNRPFJWLYVRGRV-UHFFFAOYSA-N
XLogP3.83
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[(4-fluoro-3-methoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one with MolForge

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Related Compounds

Xen-907
CID 11998198
6-methoxy-1'-pentylspiro[1-benzofuran-3,3'-indol]-2'(1H)-one
CID 59263528
6-methoxy-1'-(tetrahydro-2H-pyran-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352665
6-methoxy-1'-[(2R)-tetrahydrofuran-2-ylmethyl]spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352762
3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone
CID 118716935
2'-(2,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 49652040
(R)-1'-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydrospiro[furo[2,3-g][1,4]benzodioxine-8,3'-indol]-2'(1'H)-one
CID 51352118
1'-[(4-fluorophenyl)methyl]-6,7,8-trimethoxyspiro[3,4-dihydro-2H-isoquinoline-1,3'-indole]-2'-one
CID 155102186
(7~{R})-1'-pentylspiro[6~{H}-furo[3,2-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 95235182
(3R)-1-benzyl-5-fluoro-3-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)indol-2-one
CID 102234506
(2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one
CID 139044527
(3R)-1-benzyl-3-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)indol-2-one
CID 102234505

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluoro-3-methoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The IUPAC name of 1'-[(4-fluoro-3-methoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (CID 46194710) is 1'-[(4-fluoro-3-methoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(4-fluoro-3-methoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The canonical SMILES for 1'-[(4-fluoro-3-methoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is COc1cc(CN2C(=O)C3(COc4cc5c(cc43)OCCO5)c3ccccc32)ccc1F.
What is the InChIKey of 1'-[(4-fluoro-3-methoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The InChIKey is BNRPFJWLYVRGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO5/c1-29-21-10-15(6-7-18(21)26)13-27-19-5-3-2-4-16(19)25(24(27)28)14-32-20-12-23-22(11-17(20)25)30-8-9-31-23/h2-7,10-12H,8-9,13-14H2,1H3.
What are the key properties of 1'-[(4-fluoro-3-methoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
1'-[(4-fluoro-3-methoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one has a molecular weight of 433.44 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-fluoro-3-methoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is sourced from PubChem (CID 46194710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).