6-bromobenzo[e]perimidin-7-one

C15H7BrN2O — CID 20752000

IUPAC6-bromobenzo[e]perimidin-7-one
SMILESO=C1c2ccccc2-c2ncnc3ccc(Br)c1c23
InChIInChI=1S/C15H7BrN2O/c16-10-5-6-11-13-12(10)15(19)9-4-2-1-3-8(9)14(13)18-7-17-11/h1-7H
InChIKeyMIJDNZLMMYDBMO-UHFFFAOYSA-N
MW311.14 g/mol
LogP3.60
Rot. Bonds

About 6-bromobenzo[e]perimidin-7-one

6-bromobenzo[e]perimidin-7-one (PubChem CID 20752000) has the molecular formula C15H7BrN2O and a molecular weight of 311.14 g/mol. Its IUPAC name is 6-bromobenzo[e]perimidin-7-one.

Molecular Properties

Compound Name6-bromobenzo[e]perimidin-7-one
PubChem CID20752000
Molecular FormulaC15H7BrN2O
Molecular Weight311.14 g/mol
Exact Mass309.97
IUPAC Name6-bromobenzo[e]perimidin-7-one
SMILESO=C1c2ccccc2-c2ncnc3ccc(Br)c1c23
InChIInChI=1S/C15H7BrN2O/c16-10-5-6-11-13-12(10)15(19)9-4-2-1-3-8(9)14(13)18-7-17-11/h1-7H
InChIKeyMIJDNZLMMYDBMO-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

Analyze 6-bromobenzo[e]perimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-7H-benzo[e]perimidin-7-one
CID 906459
1-[3-[(6-Bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 710703
1-[4-(6-Bromo-quinazolin-4-ylamino)-phenyl]-ethanone
CID 702723
7H-benzo[e]perimidin-7-one
CID 964647
2-Methyl-benzo[e]perimidin-7-one
CID 753258
4,6-Dibromobenzo[e]perimidin-7-one
CID 1067828
6-Perimidinone
CID 12324902
Anthrapyrimidine-7-one
CID 70945855
6-bromo-4-methyl-2-phenyl-7H-benzo[e]perimidin-7-one
CID 2297793
[1-(6-Bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 22031035
3-[(6-Bromo-2-quinazolinyl)amino]-5-fluorobenzamide
CID 59325460
2-[1-(6-Bromoquinazolin-4-yl)piperidin-4-yl]-4-fluorobenzaldehyde
CID 87584877

Frequently Asked Questions

What is the IUPAC name of 6-bromobenzo[e]perimidin-7-one?
The IUPAC name of 6-bromobenzo[e]perimidin-7-one (CID 20752000) is 6-bromobenzo[e]perimidin-7-one.
What is the SMILES notation for 6-bromobenzo[e]perimidin-7-one?
The canonical SMILES for 6-bromobenzo[e]perimidin-7-one is O=C1c2ccccc2-c2ncnc3ccc(Br)c1c23.
What is the InChIKey of 6-bromobenzo[e]perimidin-7-one?
The InChIKey is MIJDNZLMMYDBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrN2O/c16-10-5-6-11-13-12(10)15(19)9-4-2-1-3-8(9)14(13)18-7-17-11/h1-7H.
What are the key properties of 6-bromobenzo[e]perimidin-7-one?
6-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 6-bromobenzo[e]perimidin-7-one is sourced from PubChem (CID 20752000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).