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

C18H15ClFN3O2 — CID 46337513

IUPAC1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
SMILESCOc1cccc(CNc2nccn(-c3ccc(F)c(Cl)c3)c2=O)c1
InChIInChI=1S/C18H15ClFN3O2/c1-25-14-4-2-3-12(9-14)11-22-17-18(24)23(8-7-21-17)13-5-6-16(20)15(19)10-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyGGQZOEINPDHARM-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.65
Rot. Bonds5

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

1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one (PubChem CID 46337513) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
PubChem CID46337513
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
SMILESCOc1cccc(CNc2nccn(-c3ccc(F)c(Cl)c3)c2=O)c1
InChIInChI=1S/C18H15ClFN3O2/c1-25-14-4-2-3-12(9-14)11-22-17-18(24)23(8-7-21-17)13-5-6-16(20)15(19)10-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyGGQZOEINPDHARM-UHFFFAOYSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
CID 16824611
3-(benzylamino)-1-(3-chloro-4-fluorophenyl)pyrazin-2-one
CID 46337507
1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one
CID 20941648
3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
CID 20941670
3-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)pyrazin-2-one
CID 20941583
3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 20941631
3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 18591886
3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one
CID 112708403
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one
CID 20941622
N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]furan-2-carboxamide
CID 53118353
3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one
CID 46337486
N-cyclopropyl-3-[3-[(3-methoxyphenyl)methylamino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66689876

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one (CID 46337513) is 1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one is COc1cccc(CNc2nccn(-c3ccc(F)c(Cl)c3)c2=O)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one?
The InChIKey is GGQZOEINPDHARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-25-14-4-2-3-12(9-14)11-22-17-18(24)23(8-7-21-17)13-5-6-16(20)15(19)10-13/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one?
1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one has a molecular weight of 359.79 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 46337513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).