(9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one

C25H30N2O3 — CID 27879337

IUPAC(9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one
SMILESCCN(CC)c1ccc([C@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C25H30N2O3/c1-5-27(6-2)17-12-10-16(11-13-17)24-18-14-22(29-3)23(30-4)15-20(18)26-19-8-7-9-21(28)25(19)24/h10-15,24,26H,5-9H2,1-4H3/t24-/m1/s1
InChIKeyNRJOQVSVZQKCPU-XMMPIXPASA-N
MW406.53 g/mol
LogP5.11
Rot. Bonds6

About (9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one

(9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one (PubChem CID 27879337) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is (9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one.

Molecular Properties

Compound Name(9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one
PubChem CID27879337
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name(9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one
SMILESCCN(CC)c1ccc([C@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C25H30N2O3/c1-5-27(6-2)17-12-10-16(11-13-17)24-18-14-22(29-3)23(30-4)15-20(18)26-19-8-7-9-21(28)25(19)24/h10-15,24,26H,5-9H2,1-4H3/t24-/m1/s1
InChIKeyNRJOQVSVZQKCPU-XMMPIXPASA-N
XLogP5.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one with MolForge

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Related Compounds

(9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27879292
(10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 27878729
(9S)-9-(3-bromophenyl)-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27879353
(9R)-6,7-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27879417
(9S)-9-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27879316
methyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2847792
(10S)-10-(4-methoxyphenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 27879134
9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one
CID 17285553
(10R)-10-(2,4,5-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 27879512
9-(4-chlorophenyl)-6,7-dimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one
CID 2952417
cyclohexyl (4R)-4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 51398929
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

Frequently Asked Questions

What is the IUPAC name of (9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one?
The IUPAC name of (9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one (CID 27879337) is (9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one.
What is the SMILES notation for (9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one?
The canonical SMILES for (9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one is CCN(CC)c1ccc([C@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of (9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one?
The InChIKey is NRJOQVSVZQKCPU-XMMPIXPASA-N. The full InChI is InChI=1S/C25H30N2O3/c1-5-27(6-2)17-12-10-16(11-13-17)24-18-14-22(29-3)23(30-4)15-20(18)26-19-8-7-9-21(28)25(19)24/h10-15,24,26H,5-9H2,1-4H3/t24-/m1/s1.
What are the key properties of (9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one?
(9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one has a molecular weight of 406.53 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one is sourced from PubChem (CID 27879337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).