3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one

C19H18ClN3O — CID 20941598

IUPAC3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one
SMILESCc1ccc(-n2ccnc(NCc3ccccc3Cl)c2=O)cc1C
InChIInChI=1S/C19H18ClN3O/c1-13-7-8-16(11-14(13)2)23-10-9-21-18(19(23)24)22-12-15-5-3-4-6-17(15)20/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyQNNWYWDQSWMOTO-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.11
Rot. Bonds4

About 3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one

3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one (PubChem CID 20941598) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one
PubChem CID20941598
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one
SMILESCc1ccc(-n2ccnc(NCc3ccccc3Cl)c2=O)cc1C
InChIInChI=1S/C19H18ClN3O/c1-13-7-8-16(11-14(13)2)23-10-9-21-18(19(23)24)22-12-15-5-3-4-6-17(15)20/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyQNNWYWDQSWMOTO-UHFFFAOYSA-N
XLogP4.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-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 3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one (CID 20941598) is 3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one is Cc1ccc(-n2ccnc(NCc3ccccc3Cl)c2=O)cc1C.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one?
The InChIKey is QNNWYWDQSWMOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-13-7-8-16(11-14(13)2)23-10-9-21-18(19(23)24)22-12-15-5-3-4-6-17(15)20/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one?
3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one has a molecular weight of 339.83 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one is sourced from PubChem (CID 20941598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).