10-ethyl-3,3,6,6-tetramethyl-9-(4-pyrrolidin-1-ylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C29H38N2O2 — CID 126217707

IUPAC10-ethyl-3,3,6,6-tetramethyl-9-(4-pyrrolidin-1-ylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(N3CCCC3)cc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C29H38N2O2/c1-6-31-21-15-28(2,3)17-23(32)26(21)25(27-22(31)16-29(4,5)18-24(27)33)19-9-11-20(12-10-19)30-13-7-8-14-30/h9-12,25H,6-8,13-18H2,1-5H3
InChIKeyOANFSKRRSKTBTA-UHFFFAOYSA-N
MW446.64 g/mol
LogP5.99
Rot. Bonds3

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

10-ethyl-3,3,6,6-tetramethyl-9-(4-pyrrolidin-1-ylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 126217707) has the molecular formula C29H38N2O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is 10-ethyl-3,3,6,6-tetramethyl-9-(4-pyrrolidin-1-ylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-ethyl-3,3,6,6-tetramethyl-9-(4-pyrrolidin-1-ylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID126217707
Molecular FormulaC29H38N2O2
Molecular Weight446.64 g/mol
Exact Mass446.29
IUPAC Name10-ethyl-3,3,6,6-tetramethyl-9-(4-pyrrolidin-1-ylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(N3CCCC3)cc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C29H38N2O2/c1-6-31-21-15-28(2,3)17-23(32)26(21)25(27-22(31)16-29(4,5)18-24(27)33)19-9-11-20(12-10-19)30-13-7-8-14-30/h9-12,25H,6-8,13-18H2,1-5H3
InChIKeyOANFSKRRSKTBTA-UHFFFAOYSA-N
XLogP5.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,6,6-tetramethyl-9-(4-pyrrolidin-1-ylphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 126215308
9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 1072592
3,3,6,6-tetramethyl-9-(4-methylphenyl)-10-pentyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 22333792
9-(4-chlorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 3240720
2-[3,3,6,6-tetramethyl-1,8-dioxo-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetate
CID 2174271
10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 22333794
[2-chloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenyl] 4-chlorobenzenesulfonate
CID 126076039
2-[2,6-dibromo-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126233280
[2-ethoxy-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenyl] benzenesulfonate
CID 126077966
9-[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126050717
9-(3,4-dimethoxy-5-prop-2-enylphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126081479
10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 11668641

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-3,3,6,6-tetramethyl-9-(4-pyrrolidin-1-ylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-ethyl-3,3,6,6-tetramethyl-9-(4-pyrrolidin-1-ylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 126217707) is 10-ethyl-3,3,6,6-tetramethyl-9-(4-pyrrolidin-1-ylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-ethyl-3,3,6,6-tetramethyl-9-(4-pyrrolidin-1-ylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-ethyl-3,3,6,6-tetramethyl-9-(4-pyrrolidin-1-ylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(N3CCCC3)cc2)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 10-ethyl-3,3,6,6-tetramethyl-9-(4-pyrrolidin-1-ylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is OANFSKRRSKTBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O2/c1-6-31-21-15-28(2,3)17-23(32)26(21)25(27-22(31)16-29(4,5)18-24(27)33)19-9-11-20(12-10-19)30-13-7-8-14-30/h9-12,25H,6-8,13-18H2,1-5H3.
What are the key properties of 10-ethyl-3,3,6,6-tetramethyl-9-(4-pyrrolidin-1-ylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
10-ethyl-3,3,6,6-tetramethyl-9-(4-pyrrolidin-1-ylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 446.64 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-3,3,6,6-tetramethyl-9-(4-pyrrolidin-1-ylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 126217707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).