5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione

C26H20F2N2O3 — CID 134088011

IUPAC5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione
SMILESO=C1CCCC2=C1C1(C(=O)Nc3ccc(F)cc31)C1=C(CCCC1=O)N2c1ccc(F)cc1
InChIInChI=1S/C26H20F2N2O3/c27-14-7-10-16(11-8-14)30-19-3-1-5-21(31)23(19)26(24-20(30)4-2-6-22(24)32)17-13-15(28)9-12-18(17)29-25(26)33/h7-13H,1-6H2,(H,29,33)
InChIKeyDOXKHSPUSBZXFI-UHFFFAOYSA-N
MW446.45 g/mol
LogP4.69
Rot. Bonds1

About 5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione

5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione (PubChem CID 134088011) has the molecular formula C26H20F2N2O3 and a molecular weight of 446.45 g/mol. Its IUPAC name is 5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione.

Molecular Properties

Compound Name5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione
PubChem CID134088011
Molecular FormulaC26H20F2N2O3
Molecular Weight446.45 g/mol
Exact Mass446.14
IUPAC Name5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione
SMILESO=C1CCCC2=C1C1(C(=O)Nc3ccc(F)cc31)C1=C(CCCC1=O)N2c1ccc(F)cc1
InChIInChI=1S/C26H20F2N2O3/c27-14-7-10-16(11-8-14)30-19-3-1-5-21(31)23(19)26(24-20(30)4-2-6-22(24)32)17-13-15(28)9-12-18(17)29-25(26)33/h7-13H,1-6H2,(H,29,33)
InChIKeyDOXKHSPUSBZXFI-UHFFFAOYSA-N
XLogP4.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 4918271
(3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 7426356
5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione
CID 137275889
5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one
CID 14616692
(3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 7305118
2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 5073424
2'-amino-1'-(3-chlorophenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 6496523
2'-amino-1'-(2-bromo-5-methylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 23861250
ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
CID 23886051
methyl 2'-amino-1'-(4-chloro-2-fluorophenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
CID 23858310
methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
CID 23942139
5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
CID 11559077

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione?
The IUPAC name of 5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione (CID 134088011) is 5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione.
What is the SMILES notation for 5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione?
The canonical SMILES for 5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione is O=C1CCCC2=C1C1(C(=O)Nc3ccc(F)cc31)C1=C(CCCC1=O)N2c1ccc(F)cc1.
What is the InChIKey of 5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione?
The InChIKey is DOXKHSPUSBZXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N2O3/c27-14-7-10-16(11-8-14)30-19-3-1-5-21(31)23(19)26(24-20(30)4-2-6-22(24)32)17-13-15(28)9-12-18(17)29-25(26)33/h7-13H,1-6H2,(H,29,33).
What are the key properties of 5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione?
5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione has a molecular weight of 446.45 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione is sourced from PubChem (CID 134088011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).