2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid

C26H32F3N3O5 — CID 130345926

IUPAC2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid
SMILESCOc1cc2c(NC(C)C)c3ccccc3nc2cc1OCCCN1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H31N3O3.C2HF3O2/c1-17(2)25-24-18-7-4-5-8-20(18)26-21-16-23(22(28-3)15-19(21)24)30-12-6-9-27-10-13-29-14-11-27;3-2(4,5)1(6)7/h4-5,7-8,15-17H,6,9-14H2,1-3H3,(H,25,26);(H,6,7)
InChIKeyTWURQCUPRKECPM-UHFFFAOYSA-N
MW523.55 g/mol
LogP4.95
Rot. Bonds8

About 2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid

2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid (PubChem CID 130345926) has the molecular formula C26H32F3N3O5 and a molecular weight of 523.55 g/mol. Its IUPAC name is 2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid
PubChem CID130345926
Molecular FormulaC26H32F3N3O5
Molecular Weight523.55 g/mol
Exact Mass523.23
IUPAC Name2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid
SMILESCOc1cc2c(NC(C)C)c3ccccc3nc2cc1OCCCN1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H31N3O3.C2HF3O2/c1-17(2)25-24-18-7-4-5-8-20(18)26-21-16-23(22(28-3)15-19(21)24)30-12-6-9-27-10-13-29-14-11-27;3-2(4,5)1(6)7/h4-5,7-8,15-17H,6,9-14H2,1-3H3,(H,25,26);(H,6,7)
InChIKeyTWURQCUPRKECPM-UHFFFAOYSA-N
XLogP4.95
TPSA93.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.55
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tafenoquine Succinate
CID 163761
6-Methoxy-4-[(5-methoxy-2,4-dimethylphenyl)amino]-7-[3-(morpholin-4-yl)propoxy]quinoline-3-carbonitrile
CID 5328934
4-Phenylamino-3-quinolinecarbonitrile 21
CID 5330090
2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 118607414
6-methoxy-N-(1-methylpiperidin-4-yl)-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 118613639
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methyl-4-quinolinamine hydrochloride
CID 2790768
6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-pyridin-4-ylmethyl-phenylamino)-quinoline-3-carbonitrile
CID 10118314
6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-pyridin-2-ylmethyl-phenylamino)-quinoline-3-carbonitrile
CID 10164464
6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-pyridin-3-ylmethyl-phenylamino)-quinoline-3-carbonitrile
CID 10185838
6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenoxy-phenylamino)-quinoline-3-carbonitrile
CID 10324074
4-(4-Benzyl-phenylamino)-6-methoxy-7-(3-morpholin-4-yl-propoxy)-quinoline-3-carbonitrile
CID 11755998
6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-[4-(pyridin-4-yloxy)-phenylamino]-quinoline-3-carbonitrile
CID 17903650

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid (CID 130345926) is 2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid is COc1cc2c(NC(C)C)c3ccccc3nc2cc1OCCCN1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid?
The InChIKey is TWURQCUPRKECPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3.C2HF3O2/c1-17(2)25-24-18-7-4-5-8-20(18)26-21-16-23(22(28-3)15-19(21)24)30-12-6-9-27-10-13-29-14-11-27;3-2(4,5)1(6)7/h4-5,7-8,15-17H,6,9-14H2,1-3H3,(H,25,26);(H,6,7).
What are the key properties of 2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid?
2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid has a molecular weight of 523.55 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3-morpholin-4-ylpropoxy)-N-propan-2-ylacridin-9-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 130345926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).