10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one

C26H37N3O3 — CID 57439740

IUPAC10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one
SMILESCCCNCCCOc1ccc2c(=O)c3ccc(OCCCNCCC)cc3n(C)c2c1
InChIInChI=1S/C26H37N3O3/c1-4-12-27-14-6-16-31-20-8-10-22-24(18-20)29(3)25-19-21(9-11-23(25)26(22)30)32-17-7-15-28-13-5-2/h8-11,18-19,27-28H,4-7,12-17H2,1-3H3
InChIKeyWNYHMWJYOPFLAP-UHFFFAOYSA-N
MW439.60 g/mol
LogP4.23
Rot. Bonds14

About 10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one

10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one (PubChem CID 57439740) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is 10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one.

Molecular Properties

Compound Name10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one
PubChem CID57439740
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one
SMILESCCCNCCCOc1ccc2c(=O)c3ccc(OCCCNCCC)cc3n(C)c2c1
InChIInChI=1S/C26H37N3O3/c1-4-12-27-14-6-16-31-20-8-10-22-24(18-20)29(3)25-19-21(9-11-23(25)26(22)30)32-17-7-15-28-13-5-2/h8-11,18-19,27-28H,4-7,12-17H2,1-3H3
InChIKeyWNYHMWJYOPFLAP-UHFFFAOYSA-N
XLogP4.23
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3,6-bis[2-(propylamino)ethoxy]xanthen-9-one
CID 57439577
2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one
CID 57439698
2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one
CID 57439722
2,7-bis[2-(propylamino)ethoxy]-10H-acridin-9-one
CID 57439648
3,4,7-tributoxy-1-methylquinolin-2-one
CID 139717073
3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine
CID 67163442
4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one
CID 139716939
N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine
CID 57439519
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol
CID 91111251
N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine
CID 11463619
6-[2-(dimethylamino)ethoxy]-2-methoxy-10-methylacridin-9-one
CID 21323242

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one?
The IUPAC name of 10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one (CID 57439740) is 10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one.
What is the SMILES notation for 10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one?
The canonical SMILES for 10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one is CCCNCCCOc1ccc2c(=O)c3ccc(OCCCNCCC)cc3n(C)c2c1.
What is the InChIKey of 10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one?
The InChIKey is WNYHMWJYOPFLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-4-12-27-14-6-16-31-20-8-10-22-24(18-20)29(3)25-19-21(9-11-23(25)26(22)30)32-17-7-15-28-13-5-2/h8-11,18-19,27-28H,4-7,12-17H2,1-3H3.
What are the key properties of 10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one?
10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one has a molecular weight of 439.60 g/mol, XLogP of 4.23, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one is sourced from PubChem (CID 57439740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).