4-ethylbenzo[e]perimidin-7-one

C17H12N2O — CID 138517683

IUPAC4-ethylbenzo[e]perimidin-7-one
SMILESCCc1ccc2c3c(ncnc13)-c1ccccc1C2=O
InChIInChI=1S/C17H12N2O/c1-2-10-7-8-13-14-15(10)18-9-19-16(14)11-5-3-4-6-12(11)17(13)20/h3-9H,2H2,1H3
InChIKeyMRXGMWMVOMBQOD-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.40
Rot. Bonds1

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

4-ethylbenzo[e]perimidin-7-one (PubChem CID 138517683) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-ethylbenzo[e]perimidin-7-one.

Molecular Properties

Compound Name4-ethylbenzo[e]perimidin-7-one
PubChem CID138517683
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name4-ethylbenzo[e]perimidin-7-one
SMILESCCc1ccc2c3c(ncnc13)-c1ccccc1C2=O
InChIInChI=1S/C17H12N2O/c1-2-10-7-8-13-14-15(10)18-9-19-16(14)11-5-3-4-6-12(11)17(13)20/h3-9H,2H2,1H3
InChIKeyMRXGMWMVOMBQOD-UHFFFAOYSA-N
XLogP3.40
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylbenzo[e]perimidin-7-one?
The IUPAC name of 4-ethylbenzo[e]perimidin-7-one (CID 138517683) is 4-ethylbenzo[e]perimidin-7-one.
What is the SMILES notation for 4-ethylbenzo[e]perimidin-7-one?
The canonical SMILES for 4-ethylbenzo[e]perimidin-7-one is CCc1ccc2c3c(ncnc13)-c1ccccc1C2=O.
What is the InChIKey of 4-ethylbenzo[e]perimidin-7-one?
The InChIKey is MRXGMWMVOMBQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-2-10-7-8-13-14-15(10)18-9-19-16(14)11-5-3-4-6-12(11)17(13)20/h3-9H,2H2,1H3.
What are the key properties of 4-ethylbenzo[e]perimidin-7-one?
4-ethylbenzo[e]perimidin-7-one has a molecular weight of 260.30 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylbenzo[e]perimidin-7-one is sourced from PubChem (CID 138517683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).