6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid

C19H18BrNO3 — CID 10194105

IUPAC6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid
SMILESO=C(O)CCCCCn1c2ccccc2c(=O)c2cc(Br)ccc21
InChIInChI=1S/C19H18BrNO3/c20-13-9-10-17-15(12-13)19(24)14-6-3-4-7-16(14)21(17)11-5-1-2-8-18(22)23/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,22,23)
InChIKeyGXFFSMVXBZVDEI-UHFFFAOYSA-N
MW388.26 g/mol
LogP4.56
Rot. Bonds6

About 6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid

6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid (PubChem CID 10194105) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is 6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid.

Molecular Properties

Compound Name6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid
PubChem CID10194105
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC Name6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid
SMILESO=C(O)CCCCCn1c2ccccc2c(=O)c2cc(Br)ccc21
InChIInChI=1S/C19H18BrNO3/c20-13-9-10-17-15(12-13)19(24)14-6-3-4-7-16(14)21(17)11-5-1-2-8-18(22)23/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,22,23)
InChIKeyGXFFSMVXBZVDEI-UHFFFAOYSA-N
XLogP4.56
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid
CID 67024047
7-(9-oxo-2-sulfoacridin-10-yl)heptanoic acid
CID 87872408
2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one
CID 11846737
2,7-dibromo-10-butylacridin-9-one
CID 86036844
11-(3-nitrocarbazol-9-yl)undecanoic acid
CID 51056130
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid
CID 66853989
6-[5-(5-carboxypentyl)-2,9-dimethoxy-7,14-dioxoquinolino[2,3-b]acridin-12-yl]hexanoic acid
CID 67023990
10-(6-chlorohexyl)acridin-9-one
CID 44566069
10-(3-hydroxypropyl)acridin-9-one
CID 12677142
N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 15994058
6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide
CID 70696942

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid?
The IUPAC name of 6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid (CID 10194105) is 6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid.
What is the SMILES notation for 6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid?
The canonical SMILES for 6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid is O=C(O)CCCCCn1c2ccccc2c(=O)c2cc(Br)ccc21.
What is the InChIKey of 6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid?
The InChIKey is GXFFSMVXBZVDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO3/c20-13-9-10-17-15(12-13)19(24)14-6-3-4-7-16(14)21(17)11-5-1-2-8-18(22)23/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,22,23).
What are the key properties of 6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid?
6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid has a molecular weight of 388.26 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid is sourced from PubChem (CID 10194105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).