2,7-dibromo-10-butylacridin-9-one

C17H15Br2NO — CID 86036844

IUPAC2,7-dibromo-10-butylacridin-9-one
SMILESCCCCn1c2ccc(Br)cc2c(=O)c2cc(Br)ccc21
InChIInChI=1S/C17H15Br2NO/c1-2-3-8-20-15-6-4-11(18)9-13(15)17(21)14-10-12(19)5-7-16(14)20/h4-7,9-10H,2-3,8H2,1H3
InChIKeyQADZOKWGNOUDOU-UHFFFAOYSA-N
MW409.12 g/mol
LogP5.48
Rot. Bonds3

About 2,7-dibromo-10-butylacridin-9-one

2,7-dibromo-10-butylacridin-9-one (PubChem CID 86036844) has the molecular formula C17H15Br2NO and a molecular weight of 409.12 g/mol. Its IUPAC name is 2,7-dibromo-10-butylacridin-9-one.

Molecular Properties

Compound Name2,7-dibromo-10-butylacridin-9-one
PubChem CID86036844
Molecular FormulaC17H15Br2NO
Molecular Weight409.12 g/mol
Exact Mass406.95
IUPAC Name2,7-dibromo-10-butylacridin-9-one
SMILESCCCCn1c2ccc(Br)cc2c(=O)c2cc(Br)ccc21
InChIInChI=1S/C17H15Br2NO/c1-2-3-8-20-15-6-4-11(18)9-13(15)17(21)14-10-12(19)5-7-16(14)20/h4-7,9-10H,2-3,8H2,1H3
InChIKeyQADZOKWGNOUDOU-UHFFFAOYSA-N
XLogP5.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.12
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 141462501
3-bromo-6-[(E)-2-(6-bromo-9-hexylcarbazol-3-yl)ethenyl]-9-hexylcarbazole
CID 139088492
6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid
CID 10194105
6-bromo-3-butyl-1,3-benzoxazol-2-one
CID 3121349
2,7-dibromo-9-tetracontylcarbazole
CID 141357666
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one
CID 11846737
1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine
CID 101382330
2,3,6,7-tetrabromo-9-butylcarbazole
CID 123674522
2-(6-bromo-9-butylcarbazol-1-yl)aniline
CID 174689611
5,12-dibutyl-2,9-bis(6-methoxynaphthalen-2-yl)quinolino[2,3-b]acridine-7,14-dione
CID 138622675
2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole
CID 56851506

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-10-butylacridin-9-one?
The IUPAC name of 2,7-dibromo-10-butylacridin-9-one (CID 86036844) is 2,7-dibromo-10-butylacridin-9-one.
What is the SMILES notation for 2,7-dibromo-10-butylacridin-9-one?
The canonical SMILES for 2,7-dibromo-10-butylacridin-9-one is CCCCn1c2ccc(Br)cc2c(=O)c2cc(Br)ccc21.
What is the InChIKey of 2,7-dibromo-10-butylacridin-9-one?
The InChIKey is QADZOKWGNOUDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2NO/c1-2-3-8-20-15-6-4-11(18)9-13(15)17(21)14-10-12(19)5-7-16(14)20/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of 2,7-dibromo-10-butylacridin-9-one?
2,7-dibromo-10-butylacridin-9-one has a molecular weight of 409.12 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-10-butylacridin-9-one is sourced from PubChem (CID 86036844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).