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

C20H23ClN2O — CID 11846392

IUPAC2-chloro-10-[3-(diethylamino)propyl]acridin-9-one
SMILESCCN(CC)CCCn1c2ccccc2c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C20H23ClN2O/c1-3-22(4-2)12-7-13-23-18-9-6-5-8-16(18)20(24)17-14-15(21)10-11-19(17)23/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3
InChIKeyQFQWGTIAFDGEAQ-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.54
Rot. Bonds6

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

2-chloro-10-[3-(diethylamino)propyl]acridin-9-one (PubChem CID 11846392) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-chloro-10-[3-(diethylamino)propyl]acridin-9-one.

Molecular Properties

Compound Name2-chloro-10-[3-(diethylamino)propyl]acridin-9-one
PubChem CID11846392
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-chloro-10-[3-(diethylamino)propyl]acridin-9-one
SMILESCCN(CC)CCCn1c2ccccc2c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C20H23ClN2O/c1-3-22(4-2)12-7-13-23-18-9-6-5-8-16(18)20(24)17-14-15(21)10-11-19(17)23/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3
InChIKeyQFQWGTIAFDGEAQ-UHFFFAOYSA-N
XLogP4.54
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.54
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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Related Compounds

Lofepramine
CID 3947
N-Methylacridone
CID 69751
2-(Methylamino)-5-chlorobenzophenone
CID 13925
SW-100
CID 130345472
N-(2-Benzoyl-4-chlorophenyl)-N-methylglycinamide
CID 12746775
10-(6-(diethylamino)hexyl)acridin-9(10H)-one
CID 44566054
2-(4-(4-Chlorophenyl)-1-piperazinyl)-1-phenylethanone
CID 1477078
GNF-Pf-3174
CID 410965
4,6-Dimethyl-8-chloro-1,2,5,6-tetrahydro pyrido[1,2-a]quinolin-3-one
CID 10587522
7-chloro-1,2,3,4-tetrahydroacridin-9(10H)-one
CID 13999807
5-Chloro-2'-fluoro-2-diethyaminoethylaminobenzophenone
CID 526493
10-(5-(diethylamino)pentyl)acridin-9(10H)-one
CID 14014889

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-[3-(diethylamino)propyl]acridin-9-one?
The IUPAC name of 2-chloro-10-[3-(diethylamino)propyl]acridin-9-one (CID 11846392) is 2-chloro-10-[3-(diethylamino)propyl]acridin-9-one.
What is the SMILES notation for 2-chloro-10-[3-(diethylamino)propyl]acridin-9-one?
The canonical SMILES for 2-chloro-10-[3-(diethylamino)propyl]acridin-9-one is CCN(CC)CCCn1c2ccccc2c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 2-chloro-10-[3-(diethylamino)propyl]acridin-9-one?
The InChIKey is QFQWGTIAFDGEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-3-22(4-2)12-7-13-23-18-9-6-5-8-16(18)20(24)17-14-15(21)10-11-19(17)23/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3.
What are the key properties of 2-chloro-10-[3-(diethylamino)propyl]acridin-9-one?
2-chloro-10-[3-(diethylamino)propyl]acridin-9-one has a molecular weight of 342.87 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-[3-(diethylamino)propyl]acridin-9-one is sourced from PubChem (CID 11846392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).