3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one

C19H21ClN2O — CID 24991794

IUPAC3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one
SMILESCCN(CC)CCn1c2ccccc2c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C19H21ClN2O/c1-3-21(4-2)11-12-22-17-8-6-5-7-15(17)19(23)16-10-9-14(20)13-18(16)22/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyHYTUKVNODFFZDU-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.15
Rot. Bonds5

About 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one

3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one (PubChem CID 24991794) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one.

Molecular Properties

Compound Name3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one
PubChem CID24991794
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one
SMILESCCN(CC)CCn1c2ccccc2c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C19H21ClN2O/c1-3-21(4-2)11-12-22-17-8-6-5-7-15(17)19(23)16-10-9-14(20)13-18(16)22/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyHYTUKVNODFFZDU-UHFFFAOYSA-N
XLogP4.15
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.15
H-Bond Donors ≤ 50
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-10-[2-(diethylamino)ethyl]acridin-9-one?
The IUPAC name of 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one (CID 24991794) is 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one.
What is the SMILES notation for 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one?
The canonical SMILES for 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one is CCN(CC)CCn1c2ccccc2c(=O)c2ccc(Cl)cc21.
What is the InChIKey of 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one?
The InChIKey is HYTUKVNODFFZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-3-21(4-2)11-12-22-17-8-6-5-7-15(17)19(23)16-10-9-14(20)13-18(16)22/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one?
3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one has a molecular weight of 328.84 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one is sourced from PubChem (CID 24991794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).