2-chloro-10-[4-(diethylamino)butyl]acridin-9-one

C21H25ClN2O — CID 11846398

IUPAC2-chloro-10-[4-(diethylamino)butyl]acridin-9-one
SMILESCCN(CC)CCCCn1c2ccccc2c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C21H25ClN2O/c1-3-23(4-2)13-7-8-14-24-19-10-6-5-9-17(19)21(25)18-15-16(22)11-12-20(18)24/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3
InChIKeyOWYXNMFPEOCLOC-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.93
Rot. Bonds7

About 2-chloro-10-[4-(diethylamino)butyl]acridin-9-one

2-chloro-10-[4-(diethylamino)butyl]acridin-9-one (PubChem CID 11846398) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 2-chloro-10-[4-(diethylamino)butyl]acridin-9-one.

Molecular Properties

Compound Name2-chloro-10-[4-(diethylamino)butyl]acridin-9-one
PubChem CID11846398
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name2-chloro-10-[4-(diethylamino)butyl]acridin-9-one
SMILESCCN(CC)CCCCn1c2ccccc2c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C21H25ClN2O/c1-3-23(4-2)13-7-8-14-24-19-10-6-5-9-17(19)21(25)18-15-16(22)11-12-20(18)24/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3
InChIKeyOWYXNMFPEOCLOC-UHFFFAOYSA-N
XLogP4.93
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.93
H-Bond Donors ≤ 50
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 2-chloro-10-[4-(diethylamino)butyl]acridin-9-one?
The IUPAC name of 2-chloro-10-[4-(diethylamino)butyl]acridin-9-one (CID 11846398) is 2-chloro-10-[4-(diethylamino)butyl]acridin-9-one.
What is the SMILES notation for 2-chloro-10-[4-(diethylamino)butyl]acridin-9-one?
The canonical SMILES for 2-chloro-10-[4-(diethylamino)butyl]acridin-9-one is CCN(CC)CCCCn1c2ccccc2c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 2-chloro-10-[4-(diethylamino)butyl]acridin-9-one?
The InChIKey is OWYXNMFPEOCLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-3-23(4-2)13-7-8-14-24-19-10-6-5-9-17(19)21(25)18-15-16(22)11-12-20(18)24/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3.
What are the key properties of 2-chloro-10-[4-(diethylamino)butyl]acridin-9-one?
2-chloro-10-[4-(diethylamino)butyl]acridin-9-one has a molecular weight of 356.90 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-[4-(diethylamino)butyl]acridin-9-one is sourced from PubChem (CID 11846398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).