3-chloro-6-[2-(dimethylamino)ethoxy]-10H-acridin-9-one

C17H17ClN2O2 — CID 59242960

IUPAC3-chloro-6-[2-(dimethylamino)ethoxy]-10H-acridin-9-one
SMILESCN(C)CCOc1ccc2c(=O)c3ccc(Cl)cc3[nH]c2c1
InChIInChI=1S/C17H17ClN2O2/c1-20(2)7-8-22-12-4-6-14-16(10-12)19-15-9-11(18)3-5-13(15)17(14)21/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)
InChIKeyYINFGUGUAXZCHO-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.28
Rot. Bonds4

About 3-chloro-6-[2-(dimethylamino)ethoxy]-10H-acridin-9-one

3-chloro-6-[2-(dimethylamino)ethoxy]-10H-acridin-9-one (PubChem CID 59242960) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-chloro-6-[2-(dimethylamino)ethoxy]-10H-acridin-9-one.

Molecular Properties

Compound Name3-chloro-6-[2-(dimethylamino)ethoxy]-10H-acridin-9-one
PubChem CID59242960
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name3-chloro-6-[2-(dimethylamino)ethoxy]-10H-acridin-9-one
SMILESCN(C)CCOc1ccc2c(=O)c3ccc(Cl)cc3[nH]c2c1
InChIInChI=1S/C17H17ClN2O2/c1-20(2)7-8-22-12-4-6-14-16(10-12)19-15-9-11(18)3-5-13(15)17(14)21/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)
InChIKeyYINFGUGUAXZCHO-UHFFFAOYSA-N
XLogP3.28
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[2-(dimethylamino)ethoxy]-10H-acridin-9-one?
The IUPAC name of 3-chloro-6-[2-(dimethylamino)ethoxy]-10H-acridin-9-one (CID 59242960) is 3-chloro-6-[2-(dimethylamino)ethoxy]-10H-acridin-9-one.
What is the SMILES notation for 3-chloro-6-[2-(dimethylamino)ethoxy]-10H-acridin-9-one?
The canonical SMILES for 3-chloro-6-[2-(dimethylamino)ethoxy]-10H-acridin-9-one is CN(C)CCOc1ccc2c(=O)c3ccc(Cl)cc3[nH]c2c1.
What is the InChIKey of 3-chloro-6-[2-(dimethylamino)ethoxy]-10H-acridin-9-one?
The InChIKey is YINFGUGUAXZCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-20(2)7-8-22-12-4-6-14-16(10-12)19-15-9-11(18)3-5-13(15)17(14)21/h3-6,9-10H,7-8H2,1-2H3,(H,19,21).
What are the key properties of 3-chloro-6-[2-(dimethylamino)ethoxy]-10H-acridin-9-one?
3-chloro-6-[2-(dimethylamino)ethoxy]-10H-acridin-9-one has a molecular weight of 316.79 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-(dimethylamino)ethoxy]-10H-acridin-9-one is sourced from PubChem (CID 59242960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).