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

C19H21ClN2O2 — CID 59242964

IUPAC3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one
SMILESCCN(CC)CCOc1ccc2c(=O)c3ccc(Cl)cc3[nH]c2c1
InChIInChI=1S/C19H21ClN2O2/c1-3-22(4-2)9-10-24-14-6-8-16-18(12-14)21-17-11-13(20)5-7-15(17)19(16)23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeyKARCQBSGJGQAAZ-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.06
Rot. Bonds6

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

3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one (PubChem CID 59242964) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one.

Molecular Properties

Compound Name3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one
PubChem CID59242964
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one
SMILESCCN(CC)CCOc1ccc2c(=O)c3ccc(Cl)cc3[nH]c2c1
InChIInChI=1S/C19H21ClN2O2/c1-3-22(4-2)9-10-24-14-6-8-16-18(12-14)21-17-11-13(20)5-7-15(17)19(16)23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeyKARCQBSGJGQAAZ-UHFFFAOYSA-N
XLogP4.06
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.06
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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Related Compounds

3-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 24991441
1,3-dichloro-6-[3-(diethylamino)propoxy]-10H-acridin-9-one
CID 155560204
3-chloro-5-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 129138233
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
3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one
CID 57439687
6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one
CID 155524049
2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one
CID 57439654
3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one
CID 154225288
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one
CID 142069060
3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
CID 57439420
2,7-bis[2-(dimethylamino)ethoxy]-10H-acridin-9-one
CID 57439652

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one?
The IUPAC name of 3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one (CID 59242964) is 3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one.
What is the SMILES notation for 3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one?
The canonical SMILES for 3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one is CCN(CC)CCOc1ccc2c(=O)c3ccc(Cl)cc3[nH]c2c1.
What is the InChIKey of 3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one?
The InChIKey is KARCQBSGJGQAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-3-22(4-2)9-10-24-14-6-8-16-18(12-14)21-17-11-13(20)5-7-15(17)19(16)23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23).
What are the key properties of 3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one?
3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one has a molecular weight of 344.84 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one is sourced from PubChem (CID 59242964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).