4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one

C18H23N3O2 — CID 133452086

IUPAC4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one
SMILESCOCCN1CCN(c2c(C)c(C)nc3ccccc23)CC1=O
InChIInChI=1S/C18H23N3O2/c1-13-14(2)19-16-7-5-4-6-15(16)18(13)21-9-8-20(10-11-23-3)17(22)12-21/h4-7H,8-12H2,1-3H3
InChIKeyVFCQBHZXFJZSBZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.15
Rot. Bonds4

About 4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one

4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one (PubChem CID 133452086) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one
PubChem CID133452086
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one
SMILESCOCCN1CCN(c2c(C)c(C)nc3ccccc23)CC1=O
InChIInChI=1S/C18H23N3O2/c1-13-14(2)19-16-7-5-4-6-15(16)18(13)21-9-8-20(10-11-23-3)17(22)12-21/h4-7H,8-12H2,1-3H3
InChIKeyVFCQBHZXFJZSBZ-UHFFFAOYSA-N
XLogP2.15
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline
CID 138042690
4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one
CID 75503280
1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
CID 133462296
4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one
CID 138023007
methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
CID 110433990
3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol
CID 75503244
3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
CID 103935477
2-(2-methoxyethyl)indazole-3-carboxylic acid
CID 68710957
4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine
CID 154755885
2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one
CID 137269546
3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951223
N-[1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]acetamide
CID 84600217

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one?
The IUPAC name of 4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one (CID 133452086) is 4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one.
What is the SMILES notation for 4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one?
The canonical SMILES for 4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one is COCCN1CCN(c2c(C)c(C)nc3ccccc23)CC1=O.
What is the InChIKey of 4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one?
The InChIKey is VFCQBHZXFJZSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-14(2)19-16-7-5-4-6-15(16)18(13)21-9-8-20(10-11-23-3)17(22)12-21/h4-7H,8-12H2,1-3H3.
What are the key properties of 4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one?
4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one has a molecular weight of 313.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one is sourced from PubChem (CID 133452086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).