5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione

C16H15N3O2 — CID 66329338

IUPAC5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione
SMILESCCc1cn(Cc2cccc3cccnc23)c(=O)[nH]c1=O
InChIInChI=1S/C16H15N3O2/c1-2-11-9-19(16(21)18-15(11)20)10-13-6-3-5-12-7-4-8-17-14(12)13/h3-9H,2,10H2,1H3,(H,18,20,21)
InChIKeyYAGBXKAGPUBHPA-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.70
Rot. Bonds3

About 5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione

5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione (PubChem CID 66329338) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione
PubChem CID66329338
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione
SMILESCCc1cn(Cc2cccc3cccnc23)c(=O)[nH]c1=O
InChIInChI=1S/C16H15N3O2/c1-2-11-9-19(16(21)18-15(11)20)10-13-6-3-5-12-7-4-8-17-14(12)13/h3-9H,2,10H2,1H3,(H,18,20,21)
InChIKeyYAGBXKAGPUBHPA-UHFFFAOYSA-N
XLogP1.70
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione
CID 81423514
3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
CID 107017504
8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline
CID 63926675
1-(quinolin-8-ylmethyl)pyrrole-2-carbaldehyde
CID 66410307
1-(quinolin-8-ylmethyl)pyrrole-2,5-dione
CID 81428770
1-[(3-bromophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66328937
1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 63556991
6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione
CID 81427905
5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 66330527
6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one
CID 114582096
8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66405485

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione (CID 66329338) is 5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione is CCc1cn(Cc2cccc3cccnc23)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is YAGBXKAGPUBHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-11-9-19(16(21)18-15(11)20)10-13-6-3-5-12-7-4-8-17-14(12)13/h3-9H,2,10H2,1H3,(H,18,20,21).
What are the key properties of 5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione?
5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 281.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 66329338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).