1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one

C15H14ClN2O+ — CID 166392235

IUPAC1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one
SMILESCN1C(=O)C[n+]2ccccc2C1c1cccc(Cl)c1
InChIInChI=1S/C15H14ClN2O/c1-17-14(19)10-18-8-3-2-7-13(18)15(17)11-5-4-6-12(16)9-11/h2-9,15H,10H2,1H3/q+1
InChIKeyYOULAEQBTBEHFS-UHFFFAOYSA-N
MW273.74 g/mol
LogP2.19
Rot. Bonds1

About 1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one

1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one (PubChem CID 166392235) has the molecular formula C15H14ClN2O+ and a molecular weight of 273.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one
PubChem CID166392235
Molecular FormulaC15H14ClN2O+
Molecular Weight273.74 g/mol
Exact Mass273.08
IUPAC Name1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one
SMILESCN1C(=O)C[n+]2ccccc2C1c1cccc(Cl)c1
InChIInChI=1S/C15H14ClN2O/c1-17-14(19)10-18-8-3-2-7-13(18)15(17)11-5-4-6-12(16)9-11/h2-9,15H,10H2,1H3/q+1
InChIKeyYOULAEQBTBEHFS-UHFFFAOYSA-N
XLogP2.19
TPSA24.19 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 141006073
6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione
CID 10515936
(2S,3R)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
CID 95358886
methyl 4-(3-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
CID 18171052
3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one
CID 103711168
(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 53474672
(4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one
CID 70931498
(3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 98170662
5-(3-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
CID 3398018
3-(3-chlorophenyl)-4-methylsulfonylpiperazin-2-one
CID 110656884

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one?
The IUPAC name of 1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one (CID 166392235) is 1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one is CN1C(=O)C[n+]2ccccc2C1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one?
The InChIKey is YOULAEQBTBEHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN2O/c1-17-14(19)10-18-8-3-2-7-13(18)15(17)11-5-4-6-12(16)9-11/h2-9,15H,10H2,1H3/q+1.
What are the key properties of 1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one?
1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one has a molecular weight of 273.74 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one is sourced from PubChem (CID 166392235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).