3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one

C31H47N3O3 — CID 57439687

IUPAC3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one
SMILESCCCN(CCC)CCCOc1ccc2c(=O)c3ccc(OCCCN(CCC)CCC)cc3[nH]c2c1
InChIInChI=1S/C31H47N3O3/c1-5-15-33(16-6-2)19-9-21-36-25-11-13-27-29(23-25)32-30-24-26(12-14-28(30)31(27)35)37-22-10-20-34(17-7-3)18-8-4/h11-14,23-24H,5-10,15-22H2,1-4H3,(H,32,35)
InChIKeyTWSGXTFMCROVMB-UHFFFAOYSA-N
MW509.74 g/mol
LogP6.46
Rot. Bonds18

About 3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one

3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one (PubChem CID 57439687) has the molecular formula C31H47N3O3 and a molecular weight of 509.74 g/mol. Its IUPAC name is 3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one.

Molecular Properties

Compound Name3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one
PubChem CID57439687
Molecular FormulaC31H47N3O3
Molecular Weight509.74 g/mol
Exact Mass509.36
IUPAC Name3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one
SMILESCCCN(CCC)CCCOc1ccc2c(=O)c3ccc(OCCCN(CCC)CCC)cc3[nH]c2c1
InChIInChI=1S/C31H47N3O3/c1-5-15-33(16-6-2)19-9-21-36-25-11-13-27-29(23-25)32-30-24-26(12-14-28(30)31(27)35)37-22-10-20-34(17-7-3)18-8-4/h11-14,23-24H,5-10,15-22H2,1-4H3,(H,32,35)
InChIKeyTWSGXTFMCROVMB-UHFFFAOYSA-N
XLogP6.46
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.74
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
CID 57439420
2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one
CID 57439654
3-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 24991441
3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 59242964
6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one
CID 155524049
1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one
CID 155560204
3,6-bis[2-(dipropylamino)ethoxy]thioxanthen-9-one
CID 57439634
2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one
CID 57439669
2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one
CID 57439670
2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one
CID 154339493
3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
CID 5262100
7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one
CID 155531223

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one?
The IUPAC name of 3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one (CID 57439687) is 3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one.
What is the SMILES notation for 3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one?
The canonical SMILES for 3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one is CCCN(CCC)CCCOc1ccc2c(=O)c3ccc(OCCCN(CCC)CCC)cc3[nH]c2c1.
What is the InChIKey of 3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one?
The InChIKey is TWSGXTFMCROVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47N3O3/c1-5-15-33(16-6-2)19-9-21-36-25-11-13-27-29(23-25)32-30-24-26(12-14-28(30)31(27)35)37-22-10-20-34(17-7-3)18-8-4/h11-14,23-24H,5-10,15-22H2,1-4H3,(H,32,35).
What are the key properties of 3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one?
3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one has a molecular weight of 509.74 g/mol, XLogP of 6.46, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one is sourced from PubChem (CID 57439687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).