[7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate

C24H30F3N3O4 — CID 137479092

IUPAC[7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate
SMILESCNc1c2c(nc3cc(OCCCN4CCCC4)c(OC)cc13)CCCC2OC(=O)C(F)(F)F
InChIInChI=1S/C24H30F3N3O4/c1-28-22-15-13-19(32-2)20(33-12-6-11-30-9-3-4-10-30)14-17(15)29-16-7-5-8-18(21(16)22)34-23(31)24(25,26)27/h13-14,18H,3-12H2,1-2H3,(H,28,29)
InChIKeyLRSNSWBGRBNJNH-UHFFFAOYSA-N
MW481.52 g/mol
LogP4.63
Rot. Bonds8

About [7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate

[7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 137479092) has the molecular formula C24H30F3N3O4 and a molecular weight of 481.52 g/mol. Its IUPAC name is [7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate
PubChem CID137479092
Molecular FormulaC24H30F3N3O4
Molecular Weight481.52 g/mol
Exact Mass481.22
IUPAC Name[7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate
SMILESCNc1c2c(nc3cc(OCCCN4CCCC4)c(OC)cc13)CCCC2OC(=O)C(F)(F)F
InChIInChI=1S/C24H30F3N3O4/c1-28-22-15-13-19(32-2)20(33-12-6-11-30-9-3-4-10-30)14-17(15)29-16-7-5-8-18(21(16)22)34-23(31)24(25,26)27/h13-14,18H,3-12H2,1-2H3,(H,28,29)
InChIKeyLRSNSWBGRBNJNH-UHFFFAOYSA-N
XLogP4.63
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345766
2-methoxy-N-methyl-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 155284199
[9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate
CID 137479061
N-cyclobutyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine
CID 175854650
6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 155298311
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
N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid
CID 130345854
1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol
CID 130345842
N-ethyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345777
2-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345934
2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
CID 130345795
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-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate (CID 137479092) is [7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate is CNc1c2c(nc3cc(OCCCN4CCCC4)c(OC)cc13)CCCC2OC(=O)C(F)(F)F.
What is the InChIKey of [7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is LRSNSWBGRBNJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O4/c1-28-22-15-13-19(32-2)20(33-12-6-11-30-9-3-4-10-30)14-17(15)29-16-7-5-8-18(21(16)22)34-23(31)24(25,26)27/h13-14,18H,3-12H2,1-2H3,(H,28,29).
What are the key properties of [7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate?
[7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 481.52 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 137479092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).