6-(4-methylanilino)benzo[e]perimidin-7-one

C22H15N3O — CID 824426

IUPAC6-(4-methylanilino)benzo[e]perimidin-7-one
SMILESCc1ccc(Nc2ccc3ncnc4c3c2C(=O)c2ccccc2-4)cc1
InChIInChI=1S/C22H15N3O/c1-13-6-8-14(9-7-13)25-18-11-10-17-19-20(18)22(26)16-5-3-2-4-15(16)21(19)24-12-23-17/h2-12,25H,1H3
InChIKeyMSZAFTGRLGRVJT-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.89
Rot. Bonds2

About 6-(4-methylanilino)benzo[e]perimidin-7-one

6-(4-methylanilino)benzo[e]perimidin-7-one (PubChem CID 824426) has the molecular formula C22H15N3O and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-(4-methylanilino)benzo[e]perimidin-7-one.

Molecular Properties

Compound Name6-(4-methylanilino)benzo[e]perimidin-7-one
PubChem CID824426
Molecular FormulaC22H15N3O
Molecular Weight337.38 g/mol
Exact Mass337.12
IUPAC Name6-(4-methylanilino)benzo[e]perimidin-7-one
SMILESCc1ccc(Nc2ccc3ncnc4c3c2C(=O)c2ccccc2-4)cc1
InChIInChI=1S/C22H15N3O/c1-13-6-8-14(9-7-13)25-18-11-10-17-19-20(18)22(26)16-5-3-2-4-15(16)21(19)24-12-23-17/h2-12,25H,1H3
InChIKeyMSZAFTGRLGRVJT-UHFFFAOYSA-N
XLogP4.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(4-methylanilino)benzo[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

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylanilino)benzo[e]perimidin-7-one?
The IUPAC name of 6-(4-methylanilino)benzo[e]perimidin-7-one (CID 824426) is 6-(4-methylanilino)benzo[e]perimidin-7-one.
What is the SMILES notation for 6-(4-methylanilino)benzo[e]perimidin-7-one?
The canonical SMILES for 6-(4-methylanilino)benzo[e]perimidin-7-one is Cc1ccc(Nc2ccc3ncnc4c3c2C(=O)c2ccccc2-4)cc1.
What is the InChIKey of 6-(4-methylanilino)benzo[e]perimidin-7-one?
The InChIKey is MSZAFTGRLGRVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O/c1-13-6-8-14(9-7-13)25-18-11-10-17-19-20(18)22(26)16-5-3-2-4-15(16)21(19)24-12-23-17/h2-12,25H,1H3.
What are the key properties of 6-(4-methylanilino)benzo[e]perimidin-7-one?
6-(4-methylanilino)benzo[e]perimidin-7-one has a molecular weight of 337.38 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylanilino)benzo[e]perimidin-7-one is sourced from PubChem (CID 824426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).