9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one

C28H36N2O4 — CID 17285553

IUPAC9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one
SMILESCCN(CC)c1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3cc(OC)c(OC)c(OC)c32)cc1
InChIInChI=1S/C28H36N2O4/c1-8-30(9-2)18-12-10-17(11-13-18)23-24-20(15-28(3,4)16-21(24)31)29-19-14-22(32-5)26(33-6)27(34-7)25(19)23/h10-14,23,29H,8-9,15-16H2,1-7H3
InChIKeyYDTKJYCLLPFUKF-UHFFFAOYSA-N
MW464.61 g/mol
LogP5.76
Rot. Bonds7

About 9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one

9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one (PubChem CID 17285553) has the molecular formula C28H36N2O4 and a molecular weight of 464.61 g/mol. Its IUPAC name is 9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one.

Molecular Properties

Compound Name9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one
PubChem CID17285553
Molecular FormulaC28H36N2O4
Molecular Weight464.61 g/mol
Exact Mass464.27
IUPAC Name9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one
SMILESCCN(CC)c1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3cc(OC)c(OC)c(OC)c32)cc1
InChIInChI=1S/C28H36N2O4/c1-8-30(9-2)18-12-10-17(11-13-18)23-24-20(15-28(3,4)16-21(24)31)29-19-14-22(32-5)26(33-6)27(34-7)25(19)23/h10-14,23,29H,8-9,15-16H2,1-7H3
InChIKeyYDTKJYCLLPFUKF-UHFFFAOYSA-N
XLogP5.76
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one with MolForge

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Related Compounds

(4S)-4-[4-(diethylamino)phenyl]-7,7-dimethyl-1,2,4,6,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
CID 42548500
(4S)-4-[4-(diethylamino)phenyl]-7,7-dimethyl-2-phenyl-4,6,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 42548224
(9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27879337
(5S)-5-[4-(diethylamino)phenyl]-8,8-dimethyl-2-methylsulfanyl-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinoline-4,6-dione
CID 135721271
9-(4-chlorophenyl)-6,7-dimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one
CID 2952417
2-propoxyethyl 4-[4-(diethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 2872782
17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one
CID 135393838
(10S)-7,7-dimethyl-10-(2,3,4-trimethoxyphenyl)-5,6,8,10-tetrahydro-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 42549341
(9S)-9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one
CID 7080937
(12S)-12-(3,4-dimethoxyphenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 1265819
(4R)-7,7-dimethyl-2-phenyl-4-(3,4,5-trimethoxyphenyl)-4,6,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 41137811
methyl 4-[4-[benzyl(ethyl)amino]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 21235786

Frequently Asked Questions

What is the IUPAC name of 9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one?
The IUPAC name of 9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one (CID 17285553) is 9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one.
What is the SMILES notation for 9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one?
The canonical SMILES for 9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one is CCN(CC)c1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3cc(OC)c(OC)c(OC)c32)cc1.
What is the InChIKey of 9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one?
The InChIKey is YDTKJYCLLPFUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O4/c1-8-30(9-2)18-12-10-17(11-13-18)23-24-20(15-28(3,4)16-21(24)31)29-19-14-22(32-5)26(33-6)27(34-7)25(19)23/h10-14,23,29H,8-9,15-16H2,1-7H3.
What are the key properties of 9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one?
9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one has a molecular weight of 464.61 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one is sourced from PubChem (CID 17285553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).