5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one

C22H17ClN2O2 — CID 23629498

IUPAC5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one
SMILESCOc1ccc(Cn2cc(Cl)nc(-c3ccc4ccccc4c3)c2=O)cc1
InChIInChI=1S/C22H17ClN2O2/c1-27-19-10-6-15(7-11-19)13-25-14-20(23)24-21(22(25)26)18-9-8-16-4-2-3-5-17(16)12-18/h2-12,14H,13H2,1H3
InChIKeyKPLIDXXMSSUUDK-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.77
Rot. Bonds4

About 5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one

5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one (PubChem CID 23629498) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one
PubChem CID23629498
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one
SMILESCOc1ccc(Cn2cc(Cl)nc(-c3ccc4ccccc4c3)c2=O)cc1
InChIInChI=1S/C22H17ClN2O2/c1-27-19-10-6-15(7-11-19)13-25-14-20(23)24-21(22(25)26)18-9-8-16-4-2-3-5-17(16)12-18/h2-12,14H,13H2,1H3
InChIKeyKPLIDXXMSSUUDK-UHFFFAOYSA-N
XLogP4.77
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-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

Related Compounds

diethyl 2-[6-chloro-4-[(4-methoxyphenyl)methyl]-3-oxopyrazin-2-yl]propanedioate
CID 102289828
5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298
3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 141379797
2,8-bis[(4-methoxyphenyl)methyl]-1,9-dioxopyrido[4,3-b][1,6]naphthyridine-4,6-dicarbaldehyde
CID 101008201
1-[(4-methoxyphenyl)methyl]-5-methyl-6-(4-methylphenyl)-3-phenylimidazo[1,2-a]imidazole
CID 122209331
1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 70482189
2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one
CID 56927385
3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 16577259
3-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 46083232
1-benzyl-3-methoxy-5-phenylpyrazin-2-one
CID 86053729
1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one
CID 69349835
5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
CID 142787464

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one?
The IUPAC name of 5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one (CID 23629498) is 5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one.
What is the SMILES notation for 5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one?
The canonical SMILES for 5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one is COc1ccc(Cn2cc(Cl)nc(-c3ccc4ccccc4c3)c2=O)cc1.
What is the InChIKey of 5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one?
The InChIKey is KPLIDXXMSSUUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c1-27-19-10-6-15(7-11-19)13-25-14-20(23)24-21(22(25)26)18-9-8-16-4-2-3-5-17(16)12-18/h2-12,14H,13H2,1H3.
What are the key properties of 5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one?
5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one has a molecular weight of 376.84 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one is sourced from PubChem (CID 23629498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).