1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one

C20H22N4O2 — CID 72884888

IUPAC1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
SMILESCc1cc(C)n(C2CN(C(=O)Cn3c(C)cc(=O)c4ccccc43)C2)n1
InChIInChI=1S/C20H22N4O2/c1-13-8-15(3)24(21-13)16-10-22(11-16)20(26)12-23-14(2)9-19(25)17-6-4-5-7-18(17)23/h4-9,16H,10-12H2,1-3H3
InChIKeyHSSUVUBIMYPQAZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.21
Rot. Bonds3

About 1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one

1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one (PubChem CID 72884888) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one.

Molecular Properties

Compound Name1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
PubChem CID72884888
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
SMILESCc1cc(C)n(C2CN(C(=O)Cn3c(C)cc(=O)c4ccccc43)C2)n1
InChIInChI=1S/C20H22N4O2/c1-13-8-15(3)24(21-13)16-10-22(11-16)20(26)12-23-14(2)9-19(25)17-6-4-5-7-18(17)23/h4-9,16H,10-12H2,1-3H3
InChIKeyHSSUVUBIMYPQAZ-UHFFFAOYSA-N
XLogP2.21
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-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

2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one
CID 91763003
1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 133132253
1-[2-[(3S,5R)-3-amino-5-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 154566626
1-[2-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methylquinolin-4-one
CID 70775292
1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 91771971
(4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97281698
1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 97145566
1-[2-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 97145565
(1S,5R)-3-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135101065
2-(1,2-benzoxazol-3-yl)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanone
CID 91795091
2-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 70737171
2-methyl-1-[2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 91780645

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one?
The IUPAC name of 1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one (CID 72884888) is 1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one.
What is the SMILES notation for 1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one?
The canonical SMILES for 1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one is Cc1cc(C)n(C2CN(C(=O)Cn3c(C)cc(=O)c4ccccc43)C2)n1.
What is the InChIKey of 1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one?
The InChIKey is HSSUVUBIMYPQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-8-15(3)24(21-13)16-10-22(11-16)20(26)12-23-14(2)9-19(25)17-6-4-5-7-18(17)23/h4-9,16H,10-12H2,1-3H3.
What are the key properties of 1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one?
1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one has a molecular weight of 350.42 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one is sourced from PubChem (CID 72884888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).