2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one

C30H45N3O3 — CID 57439722

IUPAC2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one
SMILESCCCN(CCC)CCOc1ccc2c(c1)c(=O)c1ccc(OCCN(CCC)CCC)cc1n2C
InChIInChI=1S/C30H45N3O3/c1-6-14-32(15-7-2)18-20-35-24-11-13-28-27(22-24)30(34)26-12-10-25(23-29(26)31(28)5)36-21-19-33(16-8-3)17-9-4/h10-13,22-23H,6-9,14-21H2,1-5H3
InChIKeyNMCDZIGFKWSGSH-UHFFFAOYSA-N
MW495.71 g/mol
LogP5.69
Rot. Bonds16

About 2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one

2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one (PubChem CID 57439722) has the molecular formula C30H45N3O3 and a molecular weight of 495.71 g/mol. Its IUPAC name is 2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one.

Molecular Properties

Compound Name2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one
PubChem CID57439722
Molecular FormulaC30H45N3O3
Molecular Weight495.71 g/mol
Exact Mass495.35
IUPAC Name2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one
SMILESCCCN(CCC)CCOc1ccc2c(c1)c(=O)c1ccc(OCCN(CCC)CCC)cc1n2C
InChIInChI=1S/C30H45N3O3/c1-6-14-32(15-7-2)18-20-35-24-11-13-28-27(22-24)30(34)26-12-10-25(23-29(26)31(28)5)36-21-19-33(16-8-3)17-9-4/h10-13,22-23H,6-9,14-21H2,1-5H3
InChIKeyNMCDZIGFKWSGSH-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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Related Compounds

2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one
CID 11420554
6-[2-(dimethylamino)ethoxy]-2-methoxy-10-methylacridin-9-one
CID 21323242
3,6-bis[2-(dipropylamino)ethoxy]thioxanthen-9-one
CID 57439634
2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one
CID 57439654
2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one
CID 57439698
10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one
CID 57439740
10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one
CID 70576800
3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one
CID 57439687
N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine
CID 67163885
3,4,7-tributoxy-1-methylquinolin-2-one
CID 139717073
3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one
CID 154225288
N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine
CID 5261957

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one?
The IUPAC name of 2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one (CID 57439722) is 2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one.
What is the SMILES notation for 2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one?
The canonical SMILES for 2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one is CCCN(CCC)CCOc1ccc2c(c1)c(=O)c1ccc(OCCN(CCC)CCC)cc1n2C.
What is the InChIKey of 2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one?
The InChIKey is NMCDZIGFKWSGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3O3/c1-6-14-32(15-7-2)18-20-35-24-11-13-28-27(22-24)30(34)26-12-10-25(23-29(26)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 2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one?
2,6-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 2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one is sourced from PubChem (CID 57439722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).