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

C26H30FNO2 — CID 11668641

IUPAC10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(C1CC1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1
InChIInChI=1S/C26H30FNO2/c1-25(2)11-18-23(20(29)13-25)22(15-5-7-16(27)8-6-15)24-19(28(18)17-9-10-17)12-26(3,4)14-21(24)30/h5-8,17,22H,9-14H2,1-4H3
InChIKeySRDPPSSVFIKRGT-UHFFFAOYSA-N
MW407.53 g/mol
LogP5.67
Rot. Bonds2

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

10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 11668641) has the molecular formula C26H30FNO2 and a molecular weight of 407.53 g/mol. Its IUPAC name is 10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID11668641
Molecular FormulaC26H30FNO2
Molecular Weight407.53 g/mol
Exact Mass407.23
IUPAC Name10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(C1CC1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1
InChIInChI=1S/C26H30FNO2/c1-25(2)11-18-23(20(29)13-25)22(15-5-7-16(27)8-6-15)24-19(28(18)17-9-10-17)12-26(3,4)14-21(24)30/h5-8,17,22H,9-14H2,1-4H3
InChIKeySRDPPSSVFIKRGT-UHFFFAOYSA-N
XLogP5.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione
CID 40552646
9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 632712
(10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 1286614
10-(2-methoxyphenyl)-9-[4-[10-(2-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 53232693
(4R)-4-(4-fluorophenyl)-7,7-dimethyl-1,2,4,6,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
CID 27878221
2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3280278
9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 1072592
10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 5101871
3,3,6,6-tetramethyl-9-[4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 12996042
(1E)-5-(4-fluorophenyl)-1-hydrazinylidene-8,8-dimethyl-6-oxo-7,9-dihydro-5H-[1,3]thiazolo[3,2-a]quinoline-4-carbonitrile
CID 171979416
(8S)-8-(4-fluorophenyl)-11,11-dimethyl-5,9-dioxo-6,8,10,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
CID 139073165
(4R)-2-amino-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1041356

Frequently Asked Questions

What is the IUPAC name of 10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 11668641) is 10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is CC1(C)CC(=O)C2=C(C1)N(C1CC1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1.
What is the InChIKey of 10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is SRDPPSSVFIKRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FNO2/c1-25(2)11-18-23(20(29)13-25)22(15-5-7-16(27)8-6-15)24-19(28(18)17-9-10-17)12-26(3,4)14-21(24)30/h5-8,17,22H,9-14H2,1-4H3.
What are the key properties of 10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 407.53 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 11668641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).