3-chloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one

C20H23ClN2O2 — CID 59242972

IUPAC3-chloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one
SMILESCCN(CC)CCCOc1ccc2c(=O)c3ccc(Cl)cc3[nH]c2c1
InChIInChI=1S/C20H23ClN2O2/c1-3-23(4-2)10-5-11-25-15-7-9-17-19(13-15)22-18-12-14(21)6-8-16(18)20(17)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)
InChIKeyVEQUDOUBQGYBMQ-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.45
Rot. Bonds7

About 3-chloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one

3-chloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one (PubChem CID 59242972) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-chloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one.

Molecular Properties

Compound Name3-chloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one
PubChem CID59242972
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-chloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one
SMILESCCN(CC)CCCOc1ccc2c(=O)c3ccc(Cl)cc3[nH]c2c1
InChIInChI=1S/C20H23ClN2O2/c1-3-23(4-2)10-5-11-25-15-7-9-17-19(13-15)22-18-12-14(21)6-8-16(18)20(17)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)
InChIKeyVEQUDOUBQGYBMQ-UHFFFAOYSA-N
XLogP4.45
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.45
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one?
The IUPAC name of 3-chloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one (CID 59242972) is 3-chloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one.
What is the SMILES notation for 3-chloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one?
The canonical SMILES for 3-chloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one is CCN(CC)CCCOc1ccc2c(=O)c3ccc(Cl)cc3[nH]c2c1.
What is the InChIKey of 3-chloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one?
The InChIKey is VEQUDOUBQGYBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-3-23(4-2)10-5-11-25-15-7-9-17-19(13-15)22-18-12-14(21)6-8-16(18)20(17)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24).
What are the key properties of 3-chloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one?
3-chloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one has a molecular weight of 358.87 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one is sourced from PubChem (CID 59242972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).