5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one

C28H20F2N2O — CID 14616692

IUPAC5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one
SMILESCc1ccc2c(c1)N(c1ccc(F)cc1)c1cc(C)ccc1C21C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C28H20F2N2O/c1-16-3-10-21-25(13-16)32(20-8-5-18(29)6-9-20)26-14-17(2)4-11-22(26)28(21)23-15-19(30)7-12-24(23)31-27(28)33/h3-15H,1-2H3,(H,31,33)
InChIKeyGLBXGUHOEQNTIV-UHFFFAOYSA-N
MW438.48 g/mol
LogP6.65
Rot. Bonds1

About 5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one

5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one (PubChem CID 14616692) has the molecular formula C28H20F2N2O and a molecular weight of 438.48 g/mol. Its IUPAC name is 5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one.

Molecular Properties

Compound Name5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one
PubChem CID14616692
Molecular FormulaC28H20F2N2O
Molecular Weight438.48 g/mol
Exact Mass438.15
IUPAC Name5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one
SMILESCc1ccc2c(c1)N(c1ccc(F)cc1)c1cc(C)ccc1C21C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C28H20F2N2O/c1-16-3-10-21-25(13-16)32(20-8-5-18(29)6-9-20)26-14-17(2)4-11-22(26)28(21)23-15-19(30)7-12-24(23)31-27(28)33/h3-15H,1-2H3,(H,31,33)
InChIKeyGLBXGUHOEQNTIV-UHFFFAOYSA-N
XLogP6.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one
CID 14616665
5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione
CID 134088011
6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one
CID 14616674
3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one
CID 166482233
5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
CID 11559077
5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58482281
5-fluoro-3,3-dimethoxy-1H-indol-2-one
CID 162744174
5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 118710068
(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425817
(1S,3S,3aR,6aS)-5'-fluoro-1-[(4-hydroxyphenyl)methyl]-5-(4-methylphenyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 29004946
3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one
CID 115098560
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one?
The IUPAC name of 5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one (CID 14616692) is 5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one.
What is the SMILES notation for 5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one?
The canonical SMILES for 5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one is Cc1ccc2c(c1)N(c1ccc(F)cc1)c1cc(C)ccc1C21C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one?
The InChIKey is GLBXGUHOEQNTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F2N2O/c1-16-3-10-21-25(13-16)32(20-8-5-18(29)6-9-20)26-14-17(2)4-11-22(26)28(21)23-15-19(30)7-12-24(23)31-27(28)33/h3-15H,1-2H3,(H,31,33).
What are the key properties of 5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one?
5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one has a molecular weight of 438.48 g/mol, XLogP of 6.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one is sourced from PubChem (CID 14616692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).