7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one

C22H27FN2O3 — CID 155531223

IUPAC7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one
SMILESCCCN(CCC)CCOc1ccc2[nH]c3cc(OC)cc(F)c3c(=O)c2c1
InChIInChI=1S/C22H27FN2O3/c1-4-8-25(9-5-2)10-11-28-15-6-7-19-17(12-15)22(26)21-18(23)13-16(27-3)14-20(21)24-19/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,24,26)
InChIKeyPOFAMQYXSSFNOG-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.33
Rot. Bonds9

About 7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one

7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one (PubChem CID 155531223) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one.

Molecular Properties

Compound Name7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one
PubChem CID155531223
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one
SMILESCCCN(CCC)CCOc1ccc2[nH]c3cc(OC)cc(F)c3c(=O)c2c1
InChIInChI=1S/C22H27FN2O3/c1-4-8-25(9-5-2)10-11-28-15-6-7-19-17(12-15)22(26)21-18(23)13-16(27-3)14-20(21)24-19/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,24,26)
InChIKeyPOFAMQYXSSFNOG-UHFFFAOYSA-N
XLogP4.33
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one
CID 57439654
6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one
CID 155524049
3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one
CID 57439687
2,7-bis[2-(dimethylamino)ethoxy]-10H-acridin-9-one
CID 57439652
3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
CID 57439420
2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one
CID 11420554
3-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 24991441
2,7-diethoxy-10H-acridin-9-one
CID 163923657
3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 59242964
6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one
CID 155513902
2,7-bis[2-(propylamino)ethoxy]-10H-acridin-9-one
CID 57439648
3,6-bis[2-(dipropylamino)ethoxy]thioxanthen-9-one
CID 57439634

Frequently Asked Questions

What is the IUPAC name of 7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one?
The IUPAC name of 7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one (CID 155531223) is 7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one.
What is the SMILES notation for 7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one?
The canonical SMILES for 7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one is CCCN(CCC)CCOc1ccc2[nH]c3cc(OC)cc(F)c3c(=O)c2c1.
What is the InChIKey of 7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one?
The InChIKey is POFAMQYXSSFNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-4-8-25(9-5-2)10-11-28-15-6-7-19-17(12-15)22(26)21-18(23)13-16(27-3)14-20(21)24-19/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,24,26).
What are the key properties of 7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one?
7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one has a molecular weight of 386.47 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one is sourced from PubChem (CID 155531223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).