4,6-bis(methylamino)benzo[e]perimidin-7-one

C17H14N4O — CID 4130143

IUPAC4,6-bis(methylamino)benzo[e]perimidin-7-one
SMILESCNc1cc(NC)c2ncnc3c2c1C(=O)c1ccccc1-3
InChIInChI=1S/C17H14N4O/c1-18-11-7-12(19-2)16-14-13(11)17(22)10-6-4-3-5-9(10)15(14)20-8-21-16/h3-8,18-19H,1-2H3
InChIKeyPQQRDFUZGZBXEY-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.92
Rot. Bonds2

About 4,6-bis(methylamino)benzo[e]perimidin-7-one

4,6-bis(methylamino)benzo[e]perimidin-7-one (PubChem CID 4130143) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4,6-bis(methylamino)benzo[e]perimidin-7-one.

Molecular Properties

Compound Name4,6-bis(methylamino)benzo[e]perimidin-7-one
PubChem CID4130143
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name4,6-bis(methylamino)benzo[e]perimidin-7-one
SMILESCNc1cc(NC)c2ncnc3c2c1C(=O)c1ccccc1-3
InChIInChI=1S/C17H14N4O/c1-18-11-7-12(19-2)16-14-13(11)17(22)10-6-4-3-5-9(10)15(14)20-8-21-16/h3-8,18-19H,1-2H3
InChIKeyPQQRDFUZGZBXEY-UHFFFAOYSA-N
XLogP2.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(methylamino)benzo[e]perimidin-7-one?
The IUPAC name of 4,6-bis(methylamino)benzo[e]perimidin-7-one (CID 4130143) is 4,6-bis(methylamino)benzo[e]perimidin-7-one.
What is the SMILES notation for 4,6-bis(methylamino)benzo[e]perimidin-7-one?
The canonical SMILES for 4,6-bis(methylamino)benzo[e]perimidin-7-one is CNc1cc(NC)c2ncnc3c2c1C(=O)c1ccccc1-3.
What is the InChIKey of 4,6-bis(methylamino)benzo[e]perimidin-7-one?
The InChIKey is PQQRDFUZGZBXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-18-11-7-12(19-2)16-14-13(11)17(22)10-6-4-3-5-9(10)15(14)20-8-21-16/h3-8,18-19H,1-2H3.
What are the key properties of 4,6-bis(methylamino)benzo[e]perimidin-7-one?
4,6-bis(methylamino)benzo[e]perimidin-7-one has a molecular weight of 290.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(methylamino)benzo[e]perimidin-7-one is sourced from PubChem (CID 4130143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).