3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine

C21H24FN3O2 — CID 130345733

IUPAC3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine
SMILESCNc1c2ccccc2nc2cc(OCCCN3CC(F)C3)c(OC)cc12
InChIInChI=1S/C21H24FN3O2/c1-23-21-15-6-3-4-7-17(15)24-18-11-20(19(26-2)10-16(18)21)27-9-5-8-25-12-14(22)13-25/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3,(H,23,24)
InChIKeyMWNRIEMDVQIPBC-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.86
Rot. Bonds7

About 3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine

3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine (PubChem CID 130345733) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine.

Molecular Properties

Compound Name3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine
PubChem CID130345733
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine
SMILESCNc1c2ccccc2nc2cc(OCCCN3CC(F)C3)c(OC)cc12
InChIInChI=1S/C21H24FN3O2/c1-23-21-15-6-3-4-7-17(15)24-18-11-20(19(26-2)10-16(18)21)27-9-5-8-25-12-14(22)13-25/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3,(H,23,24)
InChIKeyMWNRIEMDVQIPBC-UHFFFAOYSA-N
XLogP3.86
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
CID 130345795
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
3-[3-(dimethylamino)propoxy]-2-methoxy-N-methylacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345688
4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]butanenitrile
CID 130345769
1-ethyl-4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one
CID 130345883
4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one
CID 130345878
2-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345934
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
4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one;2,2,2-trifluoroacetic acid
CID 130345877
2-methoxy-N-methyl-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 155284199

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine?
The IUPAC name of 3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine (CID 130345733) is 3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine.
What is the SMILES notation for 3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine?
The canonical SMILES for 3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine is CNc1c2ccccc2nc2cc(OCCCN3CC(F)C3)c(OC)cc12.
What is the InChIKey of 3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine?
The InChIKey is MWNRIEMDVQIPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-23-21-15-6-3-4-7-17(15)24-18-11-20(19(26-2)10-16(18)21)27-9-5-8-25-12-14(22)13-25/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3,(H,23,24).
What are the key properties of 3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine?
3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine has a molecular weight of 369.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine is sourced from PubChem (CID 130345733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).