1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

C24H18N4O4 — CID 59263392

IUPAC1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESCn1nnc2ccc(CN3C(=O)C4(COc5cc6c(cc54)OCO6)c4ccccc43)cc21
InChIInChI=1S/C24H18N4O4/c1-27-19-8-14(6-7-17(19)25-26-27)11-28-18-5-3-2-4-15(18)24(23(28)29)12-30-20-10-22-21(9-16(20)24)31-13-32-22/h2-10H,11-13H2,1H3
InChIKeyKAOAQAKPHPXOOJ-UHFFFAOYSA-N
MW426.43 g/mol
LogP2.92
Rot. Bonds2

About 1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (PubChem CID 59263392) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is 1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
PubChem CID59263392
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC Name1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESCn1nnc2ccc(CN3C(=O)C4(COc5cc6c(cc54)OCO6)c4ccccc43)cc21
InChIInChI=1S/C24H18N4O4/c1-27-19-8-14(6-7-17(19)25-26-27)11-28-18-5-3-2-4-15(18)24(23(28)29)12-30-20-10-22-21(9-16(20)24)31-13-32-22/h2-10H,11-13H2,1H3
InChIKeyKAOAQAKPHPXOOJ-UHFFFAOYSA-N
XLogP2.92
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263445
1'-[(1-methyl-6-oxo-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263496
1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642329
1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263375
4-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzoyl chloride
CID 87087377
N-ethyl-3-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 11998937
1'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263410
1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 71036161
1'-(thiophen-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263336
1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642072
1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352459
1'-(4,4,4-trifluorobutyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66641983

Frequently Asked Questions

What is the IUPAC name of 1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The IUPAC name of 1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (CID 59263392) is 1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The canonical SMILES for 1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is Cn1nnc2ccc(CN3C(=O)C4(COc5cc6c(cc54)OCO6)c4ccccc43)cc21.
What is the InChIKey of 1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The InChIKey is KAOAQAKPHPXOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4/c1-27-19-8-14(6-7-17(19)25-26-27)11-28-18-5-3-2-4-15(18)24(23(28)29)12-30-20-10-22-21(9-16(20)24)31-13-32-22/h2-10H,11-13H2,1H3.
What are the key properties of 1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one has a molecular weight of 426.43 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is sourced from PubChem (CID 59263392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).