2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine

C25H31N3O3 — CID 130345668

IUPAC2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine
SMILESCOc1cc2c(NC3CCOCC3)c3ccccc3nc2cc1OCC1CCN(C)C1
InChIInChI=1S/C25H31N3O3/c1-28-10-7-17(15-28)16-31-24-14-22-20(13-23(24)29-2)25(26-18-8-11-30-12-9-18)19-5-3-4-6-21(19)27-22/h3-6,13-14,17-18H,7-12,15-16H2,1-2H3,(H,26,27)
InChIKeyUFTNPGHHGNFSER-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.32
Rot. Bonds6

About 2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine

2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine (PubChem CID 130345668) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine.

Molecular Properties

Compound Name2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine
PubChem CID130345668
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine
SMILESCOc1cc2c(NC3CCOCC3)c3ccccc3nc2cc1OCC1CCN(C)C1
InChIInChI=1S/C25H31N3O3/c1-28-10-7-17(15-28)16-31-24-14-22-20(13-23(24)29-2)25(26-18-8-11-30-12-9-18)19-5-3-4-6-21(19)27-22/h3-6,13-14,17-18H,7-12,15-16H2,1-2H3,(H,26,27)
InChIKeyUFTNPGHHGNFSER-UHFFFAOYSA-N
XLogP4.32
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine?
The IUPAC name of 2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine (CID 130345668) is 2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine.
What is the SMILES notation for 2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine?
The canonical SMILES for 2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine is COc1cc2c(NC3CCOCC3)c3ccccc3nc2cc1OCC1CCN(C)C1.
What is the InChIKey of 2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine?
The InChIKey is UFTNPGHHGNFSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-28-10-7-17(15-28)16-31-24-14-22-20(13-23(24)29-2)25(26-18-8-11-30-12-9-18)19-5-3-4-6-21(19)27-22/h3-6,13-14,17-18H,7-12,15-16H2,1-2H3,(H,26,27).
What are the key properties of 2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine?
2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine has a molecular weight of 421.54 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine is sourced from PubChem (CID 130345668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).