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

C19H18ClN3O — CID 18591891

IUPAC1-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one
SMILESCc1ccc(CNc2nccn(-c3cccc(Cl)c3C)c2=O)cc1
InChIInChI=1S/C19H18ClN3O/c1-13-6-8-15(9-7-13)12-22-18-19(24)23(11-10-21-18)17-5-3-4-16(20)14(17)2/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyXYWNPWSQOZECAF-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.11
Rot. Bonds4

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

1-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one (PubChem CID 18591891) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one
PubChem CID18591891
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one
SMILESCc1ccc(CNc2nccn(-c3cccc(Cl)c3C)c2=O)cc1
InChIInChI=1S/C19H18ClN3O/c1-13-6-8-15(9-7-13)12-22-18-19(24)23(11-10-21-18)17-5-3-4-16(20)14(17)2/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyXYWNPWSQOZECAF-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

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Related Compounds

N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 6470463
3-{[2-(4-Chlorophenyl)ethyl]amino}-1-phenyl-1,2-dihydropyrazin-2-one
CID 16025725
(R)-5-Chloro-3-(2-chloro-6-methylphenylamino)-1-(1-cyclopropylpropyl)pyrazin-2(1H)-one
CID 44190243
N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
CID 1434973
N-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide
CID 2425814
3-[(2-Chlorophenyl)methylamino]-1-phenylpyrazin-2-one
CID 16025723
1-(3,5-Dimethylphenyl)-3-{[(4-methylphenyl)methyl]amino}-1,2-dihydropyrazin-2-one
CID 16025763
3-((4-chlorobenzyl)amino)-1-(3-(trifluoromethyl)phenyl)pyrazin-2(1H)-one
CID 16956647
1-Benzyl-2-(3-chloro-2-methylanilino)pyrimidin-4-one
CID 134290143
1-Benzyl-2-(3-chloro-2-methylanilino)-5-methylpyrimidin-4-one
CID 134290149
methyl N-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]carbamate
CID 134290152
5-Amino-1-benzyl-2-(3-chloro-2-methylanilino)pyrimidin-4-one
CID 134290153

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one (CID 18591891) is 1-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one is Cc1ccc(CNc2nccn(-c3cccc(Cl)c3C)c2=O)cc1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one?
The InChIKey is XYWNPWSQOZECAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-13-6-8-15(9-7-13)12-22-18-19(24)23(11-10-21-18)17-5-3-4-16(20)14(17)2/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one?
1-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)methylamino]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 1-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 18591891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).