3-chloro-6-(2-pyrrolidin-1-ylethoxy)-10H-acridin-9-one

C19H19ClN2O2 — CID 59242963

IUPAC3-chloro-6-(2-pyrrolidin-1-ylethoxy)-10H-acridin-9-one
SMILESO=c1c2ccc(Cl)cc2[nH]c2cc(OCCN3CCCC3)ccc12
InChIInChI=1S/C19H19ClN2O2/c20-13-3-5-15-17(11-13)21-18-12-14(4-6-16(18)19(15)23)24-10-9-22-7-1-2-8-22/h3-6,11-12H,1-2,7-10H2,(H,21,23)
InChIKeySJHQQBZWVNAOHT-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.81
Rot. Bonds4

About 3-chloro-6-(2-pyrrolidin-1-ylethoxy)-10H-acridin-9-one

3-chloro-6-(2-pyrrolidin-1-ylethoxy)-10H-acridin-9-one (PubChem CID 59242963) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-chloro-6-(2-pyrrolidin-1-ylethoxy)-10H-acridin-9-one.

Molecular Properties

Compound Name3-chloro-6-(2-pyrrolidin-1-ylethoxy)-10H-acridin-9-one
PubChem CID59242963
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name3-chloro-6-(2-pyrrolidin-1-ylethoxy)-10H-acridin-9-one
SMILESO=c1c2ccc(Cl)cc2[nH]c2cc(OCCN3CCCC3)ccc12
InChIInChI=1S/C19H19ClN2O2/c20-13-3-5-15-17(11-13)21-18-12-14(4-6-16(18)19(15)23)24-10-9-22-7-1-2-8-22/h3-6,11-12H,1-2,7-10H2,(H,21,23)
InChIKeySJHQQBZWVNAOHT-UHFFFAOYSA-N
XLogP3.81
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.81
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-Chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one
CID 16725316
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
7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one
CID 155531223
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-chloropropoxy)-1,3-difluoro-10H-acridin-9-one
CID 155539107
6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one
CID 155546445

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-pyrrolidin-1-ylethoxy)-10H-acridin-9-one?
The IUPAC name of 3-chloro-6-(2-pyrrolidin-1-ylethoxy)-10H-acridin-9-one (CID 59242963) is 3-chloro-6-(2-pyrrolidin-1-ylethoxy)-10H-acridin-9-one.
What is the SMILES notation for 3-chloro-6-(2-pyrrolidin-1-ylethoxy)-10H-acridin-9-one?
The canonical SMILES for 3-chloro-6-(2-pyrrolidin-1-ylethoxy)-10H-acridin-9-one is O=c1c2ccc(Cl)cc2[nH]c2cc(OCCN3CCCC3)ccc12.
What is the InChIKey of 3-chloro-6-(2-pyrrolidin-1-ylethoxy)-10H-acridin-9-one?
The InChIKey is SJHQQBZWVNAOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-13-3-5-15-17(11-13)21-18-12-14(4-6-16(18)19(15)23)24-10-9-22-7-1-2-8-22/h3-6,11-12H,1-2,7-10H2,(H,21,23).
What are the key properties of 3-chloro-6-(2-pyrrolidin-1-ylethoxy)-10H-acridin-9-one?
3-chloro-6-(2-pyrrolidin-1-ylethoxy)-10H-acridin-9-one has a molecular weight of 342.83 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-pyrrolidin-1-ylethoxy)-10H-acridin-9-one is sourced from PubChem (CID 59242963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).