2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine

C23H29N3O2 — CID 130345795

IUPAC2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
SMILESCNc1c2ccccc2nc2cc(OCCCN3CCCCC3)c(OC)cc12
InChIInChI=1S/C23H29N3O2/c1-24-23-17-9-4-5-10-19(17)25-20-16-22(21(27-2)15-18(20)23)28-14-8-13-26-11-6-3-7-12-26/h4-5,9-10,15-16H,3,6-8,11-14H2,1-2H3,(H,24,25)
InChIKeyZJSSULVLKABXGL-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.69
Rot. Bonds7

About 2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine

2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine (PubChem CID 130345795) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine.

Molecular Properties

Compound Name2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
PubChem CID130345795
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
SMILESCNc1c2ccccc2nc2cc(OCCCN3CCCCC3)c(OC)cc12
InChIInChI=1S/C23H29N3O2/c1-24-23-17-9-4-5-10-19(17)25-20-16-22(21(27-2)15-18(20)23)28-14-8-13-26-11-6-3-7-12-26/h4-5,9-10,15-16H,3,6-8,11-14H2,1-2H3,(H,24,25)
InChIKeyZJSSULVLKABXGL-UHFFFAOYSA-N
XLogP4.69
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.69
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

3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine
CID 130345733
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-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]butanenitrile
CID 130345769
2-methoxy-N-methyl-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 155284199
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
8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine
CID 130345803
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
10-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridine
CID 137479056
2-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345934

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine?
The IUPAC name of 2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine (CID 130345795) is 2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine.
What is the SMILES notation for 2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine?
The canonical SMILES for 2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine is CNc1c2ccccc2nc2cc(OCCCN3CCCCC3)c(OC)cc12.
What is the InChIKey of 2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine?
The InChIKey is ZJSSULVLKABXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-24-23-17-9-4-5-10-19(17)25-20-16-22(21(27-2)15-18(20)23)28-14-8-13-26-11-6-3-7-12-26/h4-5,9-10,15-16H,3,6-8,11-14H2,1-2H3,(H,24,25).
What are the key properties of 2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine?
2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine has a molecular weight of 379.50 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine is sourced from PubChem (CID 130345795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).