1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one

C21H24Cl2N2O2 — CID 155525743

IUPAC1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one
SMILESCCCN(CCC)CCOc1ccc2c(=O)c3c(Cl)c(Cl)ccc3[nH]c2c1
InChIInChI=1S/C21H24Cl2N2O2/c1-3-9-25(10-4-2)11-12-27-14-5-6-15-18(13-14)24-17-8-7-16(22)20(23)19(17)21(15)26/h5-8,13H,3-4,9-12H2,1-2H3,(H,24,26)
InChIKeySQSTZEVRCDXGBE-UHFFFAOYSA-N
MW407.34 g/mol
LogP5.49
Rot. Bonds8

About 1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one

1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one (PubChem CID 155525743) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one.

Molecular Properties

Compound Name1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one
PubChem CID155525743
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one
SMILESCCCN(CCC)CCOc1ccc2c(=O)c3c(Cl)c(Cl)ccc3[nH]c2c1
InChIInChI=1S/C21H24Cl2N2O2/c1-3-9-25(10-4-2)11-12-27-14-5-6-15-18(13-14)24-17-8-7-16(22)20(23)19(17)21(15)26/h5-8,13H,3-4,9-12H2,1-2H3,(H,24,26)
InChIKeySQSTZEVRCDXGBE-UHFFFAOYSA-N
XLogP5.49
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.34
LogP ≤ 55.49
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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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one?
The IUPAC name of 1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one (CID 155525743) is 1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one.
What is the SMILES notation for 1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one?
The canonical SMILES for 1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one is CCCN(CCC)CCOc1ccc2c(=O)c3c(Cl)c(Cl)ccc3[nH]c2c1.
What is the InChIKey of 1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one?
The InChIKey is SQSTZEVRCDXGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-3-9-25(10-4-2)11-12-27-14-5-6-15-18(13-14)24-17-8-7-16(22)20(23)19(17)21(15)26/h5-8,13H,3-4,9-12H2,1-2H3,(H,24,26).
What are the key properties of 1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one?
1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one has a molecular weight of 407.34 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one is sourced from PubChem (CID 155525743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).