9-(4-bromophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione

C19H18BrNO2 — CID 1189244

IUPAC9-(4-bromophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1ccc(Br)cc1)C1=C(CCCC1=O)N2
InChIInChI=1S/C19H18BrNO2/c20-12-9-7-11(8-10-12)17-18-13(3-1-5-15(18)22)21-14-4-2-6-16(23)19(14)17/h7-10,17,21H,1-6H2
InChIKeyUDVKUHQKCAZABX-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.15
Rot. Bonds1

About 9-(4-bromophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione

9-(4-bromophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (PubChem CID 1189244) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 9-(4-bromophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.

Molecular Properties

Compound Name9-(4-bromophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
PubChem CID1189244
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name9-(4-bromophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1ccc(Br)cc1)C1=C(CCCC1=O)N2
InChIInChI=1S/C19H18BrNO2/c20-12-9-7-11(8-10-12)17-18-13(3-1-5-15(18)22)21-14-4-2-6-16(23)19(14)17/h7-10,17,21H,1-6H2
InChIKeyUDVKUHQKCAZABX-UHFFFAOYSA-N
XLogP4.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The IUPAC name of 9-(4-bromophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (CID 1189244) is 9-(4-bromophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.
What is the SMILES notation for 9-(4-bromophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The canonical SMILES for 9-(4-bromophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is O=C1CCCC2=C1C(c1ccc(Br)cc1)C1=C(CCCC1=O)N2.
What is the InChIKey of 9-(4-bromophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The InChIKey is UDVKUHQKCAZABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c20-12-9-7-11(8-10-12)17-18-13(3-1-5-15(18)22)21-14-4-2-6-16(23)19(14)17/h7-10,17,21H,1-6H2.
What are the key properties of 9-(4-bromophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
9-(4-bromophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione has a molecular weight of 372.26 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is sourced from PubChem (CID 1189244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).