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

C25H34ClN3O2 — CID 16725316

IUPAC3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one
SMILESCCN(CC)CCOc1ccc2c(=O)c3ccc(Cl)cc3n(CCN(CC)CC)c2c1
InChIInChI=1S/C25H34ClN3O2/c1-5-27(6-2)13-14-29-23-17-19(26)9-11-21(23)25(30)22-12-10-20(18-24(22)29)31-16-15-28(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3
InChIKeyHBYNOUHPMCAFIO-UHFFFAOYSA-N
MW444.02 g/mol
LogP4.87
Rot. Bonds11

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

3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one (PubChem CID 16725316) has the molecular formula C25H34ClN3O2 and a molecular weight of 444.02 g/mol. Its IUPAC name is 3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one.

Molecular Properties

Compound Name3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one
PubChem CID16725316
Molecular FormulaC25H34ClN3O2
Molecular Weight444.02 g/mol
Exact Mass443.23
IUPAC Name3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one
SMILESCCN(CC)CCOc1ccc2c(=O)c3ccc(Cl)cc3n(CCN(CC)CC)c2c1
InChIInChI=1S/C25H34ClN3O2/c1-5-27(6-2)13-14-29-23-17-19(26)9-11-21(23)25(30)22-12-10-20(18-24(22)29)31-16-15-28(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3
InChIKeyHBYNOUHPMCAFIO-UHFFFAOYSA-N
XLogP4.87
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.02
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,2-dichloro-6-[3-(dibutylamino)propoxy]-10H-acridin-9-one
CID 86278924
6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one
CID 155511816
1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one
CID 155525743
1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one
CID 155525807
3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one
CID 155526745
6-[2-[bis(3,3,3-trifluoropropyl)amino]ethoxy]-1,3-difluoro-10H-acridin-9-one
CID 155530530
1,3-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one
CID 155532156
1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one
CID 155535942
6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one
CID 155546445
6-(4-chlorophenoxy)-1-fluoro-3-methoxy-10H-acridin-9-one
CID 156016025
2-chloro-3-methoxy-6-[4-(morpholin-4-ylmethyl)phenoxy]-10H-acridin-9-one
CID 156020967
3-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 24991441

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one?
The IUPAC name of 3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one (CID 16725316) is 3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one.
What is the SMILES notation for 3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one?
The canonical SMILES for 3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one is CCN(CC)CCOc1ccc2c(=O)c3ccc(Cl)cc3n(CCN(CC)CC)c2c1.
What is the InChIKey of 3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one?
The InChIKey is HBYNOUHPMCAFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN3O2/c1-5-27(6-2)13-14-29-23-17-19(26)9-11-21(23)25(30)22-12-10-20(18-24(22)29)31-16-15-28(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3.
What are the key properties of 3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one?
3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one has a molecular weight of 444.02 g/mol, XLogP of 4.87, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one is sourced from PubChem (CID 16725316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).