2-methylbenzo[e]perimidin-7-one

C16H10N2O — CID 753258

IUPAC2-methylbenzo[e]perimidin-7-one
SMILESCc1nc2c3c(cccc3n1)C(=O)c1ccccc1-2
InChIInChI=1S/C16H10N2O/c1-9-17-13-8-4-7-12-14(13)15(18-9)10-5-2-3-6-11(10)16(12)19/h2-8H,1H3
InChIKeyQHBYWLGUAWZSKG-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.15
Rot. Bonds

About 2-methylbenzo[e]perimidin-7-one

2-methylbenzo[e]perimidin-7-one (PubChem CID 753258) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-methylbenzo[e]perimidin-7-one.

Molecular Properties

Compound Name2-methylbenzo[e]perimidin-7-one
PubChem CID753258
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Name2-methylbenzo[e]perimidin-7-one
SMILESCc1nc2c3c(cccc3n1)C(=O)c1ccccc1-2
InChIInChI=1S/C16H10N2O/c1-9-17-13-8-4-7-12-14(13)15(18-9)10-5-2-3-6-11(10)16(12)19/h2-8H,1H3
InChIKeyQHBYWLGUAWZSKG-UHFFFAOYSA-N
XLogP3.15
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylbenzo[e]perimidin-7-one?
The IUPAC name of 2-methylbenzo[e]perimidin-7-one (CID 753258) is 2-methylbenzo[e]perimidin-7-one.
What is the SMILES notation for 2-methylbenzo[e]perimidin-7-one?
The canonical SMILES for 2-methylbenzo[e]perimidin-7-one is Cc1nc2c3c(cccc3n1)C(=O)c1ccccc1-2.
What is the InChIKey of 2-methylbenzo[e]perimidin-7-one?
The InChIKey is QHBYWLGUAWZSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O/c1-9-17-13-8-4-7-12-14(13)15(18-9)10-5-2-3-6-11(10)16(12)19/h2-8H,1H3.
What are the key properties of 2-methylbenzo[e]perimidin-7-one?
2-methylbenzo[e]perimidin-7-one has a molecular weight of 246.27 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzo[e]perimidin-7-one is sourced from PubChem (CID 753258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).