7-chloro-10-hydroxy-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridin-9-one

C24H20ClF3N2O2 — CID 171924760

IUPAC7-chloro-10-hydroxy-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridin-9-one
SMILESO=c1c2c(n(O)c3ccc(Cl)cc13)CC(c1ccc(C(F)(F)F)cc1)C=C2N1CCCC1
InChIInChI=1S/C24H20ClF3N2O2/c25-17-7-8-19-18(13-17)23(31)22-20(29-9-1-2-10-29)11-15(12-21(22)30(19)32)14-3-5-16(6-4-14)24(26,27)28/h3-8,11,13,15,32H,1-2,9-10,12H2
InChIKeySDOVFOROBXXPCA-UHFFFAOYSA-N
MW460.88 g/mol
LogP5.69
Rot. Bonds2

About 7-chloro-10-hydroxy-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridin-9-one

7-chloro-10-hydroxy-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridin-9-one (PubChem CID 171924760) has the molecular formula C24H20ClF3N2O2 and a molecular weight of 460.88 g/mol. Its IUPAC name is 7-chloro-10-hydroxy-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridin-9-one.

Molecular Properties

Compound Name7-chloro-10-hydroxy-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridin-9-one
PubChem CID171924760
Molecular FormulaC24H20ClF3N2O2
Molecular Weight460.88 g/mol
Exact Mass460.12
IUPAC Name7-chloro-10-hydroxy-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridin-9-one
SMILESO=c1c2c(n(O)c3ccc(Cl)cc13)CC(c1ccc(C(F)(F)F)cc1)C=C2N1CCCC1
InChIInChI=1S/C24H20ClF3N2O2/c25-17-7-8-19-18(13-17)23(31)22-20(29-9-1-2-10-29)11-15(12-21(22)30(19)32)14-3-5-16(6-4-14)24(26,27)28/h3-8,11,13,15,32H,1-2,9-10,12H2
InChIKeySDOVFOROBXXPCA-UHFFFAOYSA-N
XLogP5.69
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.88
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Floxacrine
CID 68708
US10456394, Example 3
CID 130345433
US10456394, Example 8
CID 130345474
2-Chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one
CID 11846395
7-chloro-10-hydroxy-3-[4-(trifluoromethyl)phenyl]-3,4,4a,9a-tetrahydro-2H-acridine-1,9-dione
CID 44581348
5-Chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione
CID 44158141
7-Chloro-1-[[3-[dimethylamino]propyl]imino]-1,3,4,10-tetrahydro-3-(p-trifluoromethylphenyl)-9(2H)acridinone
CID 547232
7-Chloro-3,4-dihydro-10-hydroxy-3-phenyl-1,9(2H,10H)-acridinedione
CID 629537
7-Chloro-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridine-1,9(2H,10H)-dione
CID 634186
2-Chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one
CID 11846558
3-Benzyl-6-chloro-1,2-dimethylquinolin-4-one
CID 49782133
7-Chloro-1-[heptylimino]-1,3,4,10-tetrahydro-10-hydroxy-3-[4-(trifluoromethyl)phenyl]-9(2H)-acridone
CID 536414

Frequently Asked Questions

What is the IUPAC name of 7-chloro-10-hydroxy-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridin-9-one?
The IUPAC name of 7-chloro-10-hydroxy-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridin-9-one (CID 171924760) is 7-chloro-10-hydroxy-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridin-9-one.
What is the SMILES notation for 7-chloro-10-hydroxy-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridin-9-one?
The canonical SMILES for 7-chloro-10-hydroxy-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridin-9-one is O=c1c2c(n(O)c3ccc(Cl)cc13)CC(c1ccc(C(F)(F)F)cc1)C=C2N1CCCC1.
What is the InChIKey of 7-chloro-10-hydroxy-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridin-9-one?
The InChIKey is SDOVFOROBXXPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N2O2/c25-17-7-8-19-18(13-17)23(31)22-20(29-9-1-2-10-29)11-15(12-21(22)30(19)32)14-3-5-16(6-4-14)24(26,27)28/h3-8,11,13,15,32H,1-2,9-10,12H2.
What are the key properties of 7-chloro-10-hydroxy-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridin-9-one?
7-chloro-10-hydroxy-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridin-9-one has a molecular weight of 460.88 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-10-hydroxy-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridin-9-one is sourced from PubChem (CID 171924760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).