9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C29H37FN2O3 — CID 3245535

IUPAC9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(CCN1CCOCC1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(F)c1
InChIInChI=1S/C29H37FN2O3/c1-28(2)15-21-26(23(33)17-28)25(19-6-5-7-20(30)14-19)27-22(16-29(3,4)18-24(27)34)32(21)9-8-31-10-12-35-13-11-31/h5-7,14,25H,8-13,15-18H2,1-4H3
InChIKeyVAVQQQLCEHCQFJ-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.84
Rot. Bonds4

About 9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 3245535) has the molecular formula C29H37FN2O3 and a molecular weight of 480.62 g/mol. Its IUPAC name is 9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID3245535
Molecular FormulaC29H37FN2O3
Molecular Weight480.62 g/mol
Exact Mass480.28
IUPAC Name9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(CCN1CCOCC1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(F)c1
InChIInChI=1S/C29H37FN2O3/c1-28(2)15-21-26(23(33)17-28)25(19-6-5-7-20(30)14-19)27-22(16-29(3,4)18-24(27)34)32(21)9-8-31-10-12-35-13-11-31/h5-7,14,25H,8-13,15-18H2,1-4H3
InChIKeyVAVQQQLCEHCQFJ-UHFFFAOYSA-N
XLogP4.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 3245535) is 9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is CC1(C)CC(=O)C2=C(C1)N(CCN1CCOCC1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(F)c1.
What is the InChIKey of 9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is VAVQQQLCEHCQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN2O3/c1-28(2)15-21-26(23(33)17-28)25(19-6-5-7-20(30)14-19)27-22(16-29(3,4)18-24(27)34)32(21)9-8-31-10-12-35-13-11-31/h5-7,14,25H,8-13,15-18H2,1-4H3.
What are the key properties of 9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 480.62 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 3245535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).