2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one

C30H45N3O3 — CID 11420554

IUPAC2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one
SMILESCCCN(CCC)CCOc1ccc2c(c1)c(=O)c1cc(OCCN(CCC)CCC)ccc1n2C
InChIInChI=1S/C30H45N3O3/c1-6-14-32(15-7-2)18-20-35-24-10-12-28-26(22-24)30(34)27-23-25(11-13-29(27)31(28)5)36-21-19-33(16-8-3)17-9-4/h10-13,22-23H,6-9,14-21H2,1-5H3
InChIKeyHVKJYXWWKRDBIE-UHFFFAOYSA-N
MW495.71 g/mol
LogP5.69
Rot. Bonds16

About 2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one

2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one (PubChem CID 11420554) has the molecular formula C30H45N3O3 and a molecular weight of 495.71 g/mol. Its IUPAC name is 2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one.

Molecular Properties

Compound Name2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one
PubChem CID11420554
Molecular FormulaC30H45N3O3
Molecular Weight495.71 g/mol
Exact Mass495.35
IUPAC Name2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one
SMILESCCCN(CCC)CCOc1ccc2c(c1)c(=O)c1cc(OCCN(CCC)CCC)ccc1n2C
InChIInChI=1S/C30H45N3O3/c1-6-14-32(15-7-2)18-20-35-24-10-12-28-26(22-24)30(34)27-23-25(11-13-29(27)31(28)5)36-21-19-33(16-8-3)17-9-4/h10-13,22-23H,6-9,14-21H2,1-5H3
InChIKeyHVKJYXWWKRDBIE-UHFFFAOYSA-N
XLogP5.69
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.71
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one?
The IUPAC name of 2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one (CID 11420554) is 2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one.
What is the SMILES notation for 2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one?
The canonical SMILES for 2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one is CCCN(CCC)CCOc1ccc2c(c1)c(=O)c1cc(OCCN(CCC)CCC)ccc1n2C.
What is the InChIKey of 2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one?
The InChIKey is HVKJYXWWKRDBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3O3/c1-6-14-32(15-7-2)18-20-35-24-10-12-28-26(22-24)30(34)27-23-25(11-13-29(27)31(28)5)36-21-19-33(16-8-3)17-9-4/h10-13,22-23H,6-9,14-21H2,1-5H3.
What are the key properties of 2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one?
2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one has a molecular weight of 495.71 g/mol, XLogP of 5.69, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one is sourced from PubChem (CID 11420554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).