4-bromobenzo[e]perimidin-7-one

C15H7BrN2O — CID 13271071

IUPAC4-bromobenzo[e]perimidin-7-one
SMILESO=C1c2ccccc2-c2ncnc3c(Br)ccc1c23
InChIInChI=1S/C15H7BrN2O/c16-11-6-5-10-12-13(17-7-18-14(11)12)8-3-1-2-4-9(8)15(10)19/h1-7H
InChIKeyUPMVZNJIOCAOBR-UHFFFAOYSA-N
MW311.14 g/mol
LogP3.60
Rot. Bonds

About 4-bromobenzo[e]perimidin-7-one

4-bromobenzo[e]perimidin-7-one (PubChem CID 13271071) has the molecular formula C15H7BrN2O and a molecular weight of 311.14 g/mol. Its IUPAC name is 4-bromobenzo[e]perimidin-7-one.

Molecular Properties

Compound Name4-bromobenzo[e]perimidin-7-one
PubChem CID13271071
Molecular FormulaC15H7BrN2O
Molecular Weight311.14 g/mol
Exact Mass309.97
IUPAC Name4-bromobenzo[e]perimidin-7-one
SMILESO=C1c2ccccc2-c2ncnc3c(Br)ccc1c23
InChIInChI=1S/C15H7BrN2O/c16-11-6-5-10-12-13(17-7-18-14(11)12)8-3-1-2-4-9(8)15(10)19/h1-7H
InChIKeyUPMVZNJIOCAOBR-UHFFFAOYSA-N
XLogP3.60
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromobenzo[e]perimidin-7-one?
The IUPAC name of 4-bromobenzo[e]perimidin-7-one (CID 13271071) is 4-bromobenzo[e]perimidin-7-one.
What is the SMILES notation for 4-bromobenzo[e]perimidin-7-one?
The canonical SMILES for 4-bromobenzo[e]perimidin-7-one is O=C1c2ccccc2-c2ncnc3c(Br)ccc1c23.
What is the InChIKey of 4-bromobenzo[e]perimidin-7-one?
The InChIKey is UPMVZNJIOCAOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrN2O/c16-11-6-5-10-12-13(17-7-18-14(11)12)8-3-1-2-4-9(8)15(10)19/h1-7H.
What are the key properties of 4-bromobenzo[e]perimidin-7-one?
4-bromobenzo[e]perimidin-7-one has a molecular weight of 311.14 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzo[e]perimidin-7-one is sourced from PubChem (CID 13271071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).