1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one

C20H22Cl2N2O2 — CID 155560204

IUPAC1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one
SMILESCCN(CC)CCCOc1ccc2c(=O)c3c(Cl)cc(Cl)cc3[nH]c2c1
InChIInChI=1S/C20H22Cl2N2O2/c1-3-24(4-2)8-5-9-26-14-6-7-15-17(12-14)23-18-11-13(21)10-16(22)19(18)20(15)25/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,25)
InChIKeyTWZAJIPTVJMPTA-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.10
Rot. Bonds7

About 1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one

1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one (PubChem CID 155560204) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one.

Molecular Properties

Compound Name1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one
PubChem CID155560204
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one
SMILESCCN(CC)CCCOc1ccc2c(=O)c3c(Cl)cc(Cl)cc3[nH]c2c1
InChIInChI=1S/C20H22Cl2N2O2/c1-3-24(4-2)8-5-9-26-14-6-7-15-17(12-14)23-18-11-13(21)10-16(22)19(18)20(15)25/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,25)
InChIKeyTWZAJIPTVJMPTA-UHFFFAOYSA-N
XLogP5.10
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 59242964
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
3-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 24991441
3,6-bis[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propoxy]acridin-9-one;3-[2-(diethylamino)ethoxy]-10H-acridin-9-one;3-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]-6-methylacridin-9-one
CID 159800506
3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
CID 57439420
1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one
CID 155510931
3-chloro-5-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 129138233
6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one
CID 155513902
3-[4-(diethylamino)butoxy]xanthen-9-one
CID 25199046
2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one
CID 57439669
3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine
CID 2249602

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one?
The IUPAC name of 1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one (CID 155560204) is 1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one.
What is the SMILES notation for 1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one?
The canonical SMILES for 1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one is CCN(CC)CCCOc1ccc2c(=O)c3c(Cl)cc(Cl)cc3[nH]c2c1.
What is the InChIKey of 1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one?
The InChIKey is TWZAJIPTVJMPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-3-24(4-2)8-5-9-26-14-6-7-15-17(12-14)23-18-11-13(21)10-16(22)19(18)20(15)25/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,25).
What are the key properties of 1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one?
1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one has a molecular weight of 393.31 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one is sourced from PubChem (CID 155560204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).