9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

C27H24F3NO4 — CID 1308983

IUPAC9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCOc1cc(C2C3=C(CCCC3=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)ccc1O
InChIInChI=1S/C27H24F3NO4/c1-35-23-13-15(11-12-20(23)32)24-25-18(7-3-9-21(25)33)31(19-8-4-10-22(34)26(19)24)17-6-2-5-16(14-17)27(28,29)30/h2,5-6,11-14,24,32H,3-4,7-10H2,1H3
InChIKeyGWHDOFYCLSGREG-UHFFFAOYSA-N
MW483.49 g/mol
LogP6.04
Rot. Bonds3

About 9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (PubChem CID 1308983) has the molecular formula C27H24F3NO4 and a molecular weight of 483.49 g/mol. Its IUPAC name is 9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
PubChem CID1308983
Molecular FormulaC27H24F3NO4
Molecular Weight483.49 g/mol
Exact Mass483.17
IUPAC Name9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCOc1cc(C2C3=C(CCCC3=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)ccc1O
InChIInChI=1S/C27H24F3NO4/c1-35-23-13-15(11-12-20(23)32)24-25-18(7-3-9-21(25)33)31(19-8-4-10-22(34)26(19)24)17-6-2-5-16(14-17)27(28,29)30/h2,5-6,11-14,24,32H,3-4,7-10H2,1H3
InChIKeyGWHDOFYCLSGREG-UHFFFAOYSA-N
XLogP6.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-2-amino-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2201078
9-(2-chloro-4-hydroxy-5-methoxyphenyl)-10-(3-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 2215546
2-amino-1-(2-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4276801
2-amino-1-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4086458
2-amino-1-(2-chloro-3-pyridinyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3583596
(4R)-2-amino-4-(4-nitrophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 92844352
(4S)-2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,4-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1249275
(4R)-2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,4-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1249277
2-amino-1-(5-chloro-2-methylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4132733
10-ethyl-9-[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 126094629
(5S)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 6996630
(4E)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 5291868

Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The IUPAC name of 9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (CID 1308983) is 9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is COc1cc(C2C3=C(CCCC3=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)ccc1O.
What is the InChIKey of 9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The InChIKey is GWHDOFYCLSGREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3NO4/c1-35-23-13-15(11-12-20(23)32)24-25-18(7-3-9-21(25)33)31(19-8-4-10-22(34)26(19)24)17-6-2-5-16(14-17)27(28,29)30/h2,5-6,11-14,24,32H,3-4,7-10H2,1H3.
What are the key properties of 9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione has a molecular weight of 483.49 g/mol, XLogP of 6.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 1308983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).