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

C18H16ClN3O2 — CID 20941631

IUPAC3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
SMILESCOc1ccc(-n2ccnc(NCc3ccccc3Cl)c2=O)cc1
InChIInChI=1S/C18H16ClN3O2/c1-24-15-8-6-14(7-9-15)22-11-10-20-17(18(22)23)21-12-13-4-2-3-5-16(13)19/h2-11H,12H2,1H3,(H,20,21)
InChIKeyWSQXHTPGKISYNH-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.51
Rot. Bonds5

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

3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one (PubChem CID 20941631) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
PubChem CID20941631
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
SMILESCOc1ccc(-n2ccnc(NCc3ccccc3Cl)c2=O)cc1
InChIInChI=1S/C18H16ClN3O2/c1-24-15-8-6-14(7-9-15)22-11-10-20-17(18(22)23)21-12-13-4-2-3-5-16(13)19/h2-11H,12H2,1H3,(H,20,21)
InChIKeyWSQXHTPGKISYNH-UHFFFAOYSA-N
XLogP3.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one
CID 20941598
1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one
CID 20941640
3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 18591886
3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one
CID 46337486
1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
CID 46337513
1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one
CID 20941568
3-(benzylamino)-1-(3-chloro-4-fluorophenyl)pyrazin-2-one
CID 46337507
1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
CID 16824611
N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62136767
1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 46337473
3-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)pyrazin-2-one
CID 20941583
3-(benzylamino)-1-(3-chloro-2-methylphenyl)pyrazin-2-one
CID 18591887

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one (CID 20941631) is 3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one is COc1ccc(-n2ccnc(NCc3ccccc3Cl)c2=O)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one?
The InChIKey is WSQXHTPGKISYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-24-15-8-6-14(7-9-15)22-11-10-20-17(18(22)23)21-12-13-4-2-3-5-16(13)19/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of 3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one?
3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one has a molecular weight of 341.80 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one is sourced from PubChem (CID 20941631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).