6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one

C26H26N2O2 — CID 59263516

IUPAC6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCCCCCN1C(=O)C2(COc3cc(Nc4ccccc4)ccc32)c2ccccc21
InChIInChI=1S/C26H26N2O2/c1-2-3-9-16-28-23-13-8-7-12-21(23)26(25(28)29)18-30-24-17-20(14-15-22(24)26)27-19-10-5-4-6-11-19/h4-8,10-15,17,27H,2-3,9,16,18H2,1H3
InChIKeyZAVBZQNMLWZJMX-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.65
Rot. Bonds6

About 6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one

6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 59263516) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID59263516
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCCCCCN1C(=O)C2(COc3cc(Nc4ccccc4)ccc32)c2ccccc21
InChIInChI=1S/C26H26N2O2/c1-2-3-9-16-28-23-13-8-7-12-21(23)26(25(28)29)18-30-24-17-20(14-15-22(24)26)27-19-10-5-4-6-11-19/h4-8,10-15,17,27H,2-3,9,16,18H2,1H3
InChIKeyZAVBZQNMLWZJMX-UHFFFAOYSA-N
XLogP5.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-fluoro-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59263479
1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59263356
N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]heptanamide
CID 66642249
1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352101
(7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione
CID 166449110
1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642059
4-tert-butyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide
CID 11999892
1'-(4,4,4-trifluorobutyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66641983
4-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)butanenitrile
CID 66642446
1'-[3-(dibenzylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66643379
1-(4-methylphenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea
CID 66642741
1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352498

Frequently Asked Questions

What is the IUPAC name of 6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 59263516) is 6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one is CCCCCN1C(=O)C2(COc3cc(Nc4ccccc4)ccc32)c2ccccc21.
What is the InChIKey of 6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is ZAVBZQNMLWZJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-2-3-9-16-28-23-13-8-7-12-21(23)26(25(28)29)18-30-24-17-20(14-15-22(24)26)27-19-10-5-4-6-11-19/h4-8,10-15,17,27H,2-3,9,16,18H2,1H3.
What are the key properties of 6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 398.51 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59263516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).