7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid

C24H32F3N3O4 — CID 130345766

IUPAC7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
SMILESCNc1c2c(nc3cc(OCCCN4CCCC4)c(OC)cc13)CCCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C22H31N3O2.C2HF3O2/c1-23-22-16-8-3-4-9-18(16)24-19-15-21(20(26-2)14-17(19)22)27-13-7-12-25-10-5-6-11-25;3-2(4,5)1(6)7/h14-15H,3-13H2,1-2H3,(H,23,24);(H,6,7)
InChIKeyNZWLEOHFWXFIGJ-UHFFFAOYSA-N
MW483.53 g/mol
LogP4.66
Rot. Bonds7

About 7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid

7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid (PubChem CID 130345766) has the molecular formula C24H32F3N3O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
PubChem CID130345766
Molecular FormulaC24H32F3N3O4
Molecular Weight483.53 g/mol
Exact Mass483.23
IUPAC Name7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
SMILESCNc1c2c(nc3cc(OCCCN4CCCC4)c(OC)cc13)CCCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C22H31N3O2.C2HF3O2/c1-23-22-16-8-3-4-9-18(16)24-19-15-21(20(26-2)14-17(19)22)27-13-7-12-25-10-5-6-11-25;3-2(4,5)1(6)7/h14-15H,3-13H2,1-2H3,(H,23,24);(H,6,7)
InChIKeyNZWLEOHFWXFIGJ-UHFFFAOYSA-N
XLogP4.66
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-methyl-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 155284199
4-[[7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 130345867
[7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate
CID 137479092
2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydrophenanthridine;2,2,2-trifluoroacetic acid
CID 135185236
1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol
CID 130345842
N-cyclobutyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine
CID 175854650
N-ethyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345777
8-methoxy-N-(2-methylpropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid
CID 135185022
6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 155298311
7-methoxy-N-(2-methylpropyl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345712
N-butan-2-yl-2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-amine;2,2,2-trifluoroacetic acid
CID 137479063
N-[(2S)-butan-2-yl]-2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345832

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid (CID 130345766) is 7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid is CNc1c2c(nc3cc(OCCCN4CCCC4)c(OC)cc13)CCCC2.O=C(O)C(F)(F)F.
What is the InChIKey of 7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid?
The InChIKey is NZWLEOHFWXFIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2.C2HF3O2/c1-23-22-16-8-3-4-9-18(16)24-19-15-21(20(26-2)14-17(19)22)27-13-7-12-25-10-5-6-11-25;3-2(4,5)1(6)7/h14-15H,3-13H2,1-2H3,(H,23,24);(H,6,7).
What are the key properties of 7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid?
7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid has a molecular weight of 483.53 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 130345766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).