4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one

C26H32N4O3 — CID 130345878

IUPAC4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one
SMILESCOc1cc2c(NC3CCNC(=O)C3)c3ccccc3nc2cc1OCCCN1CCCC1
InChIInChI=1S/C26H32N4O3/c1-32-23-16-20-22(17-24(23)33-14-6-13-30-11-4-5-12-30)29-21-8-3-2-7-19(21)26(20)28-18-9-10-27-25(31)15-18/h2-3,7-8,16-18H,4-6,9-15H2,1H3,(H,27,31)(H,28,29)
InChIKeyWJNCBJOOKAJEEL-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.95
Rot. Bonds8

About 4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one

4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one (PubChem CID 130345878) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one
PubChem CID130345878
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one
SMILESCOc1cc2c(NC3CCNC(=O)C3)c3ccccc3nc2cc1OCCCN1CCCC1
InChIInChI=1S/C26H32N4O3/c1-32-23-16-20-22(17-24(23)33-14-6-13-30-11-4-5-12-30)29-21-8-3-2-7-19(21)26(20)28-18-9-10-27-25(31)15-18/h2-3,7-8,16-18H,4-6,9-15H2,1H3,(H,27,31)(H,28,29)
InChIKeyWJNCBJOOKAJEEL-UHFFFAOYSA-N
XLogP3.95
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one 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

4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one;2,2,2-trifluoroacetic acid
CID 130345877
1-ethyl-4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one
CID 130345883
2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
CID 130345795
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-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]acetic acid
CID 130345731
3-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]propan-1-ol
CID 130345683
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
4-[[7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]amino]-1-methylpiperidin-2-one
CID 130345852
4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]butanenitrile
CID 130345769
3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine
CID 130345733
cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol
CID 137479021
N-cyclobutyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine
CID 175854650

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one?
The IUPAC name of 4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one (CID 130345878) is 4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one.
What is the SMILES notation for 4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one?
The canonical SMILES for 4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one is COc1cc2c(NC3CCNC(=O)C3)c3ccccc3nc2cc1OCCCN1CCCC1.
What is the InChIKey of 4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one?
The InChIKey is WJNCBJOOKAJEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-32-23-16-20-22(17-24(23)33-14-6-13-30-11-4-5-12-30)29-21-8-3-2-7-19(21)26(20)28-18-9-10-27-25(31)15-18/h2-3,7-8,16-18H,4-6,9-15H2,1H3,(H,27,31)(H,28,29).
What are the key properties of 4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one?
4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one has a molecular weight of 448.57 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one is sourced from PubChem (CID 130345878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).