5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione

C18H16FN3O3 — CID 17481424

IUPAC5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccc2ccccc2n1
InChIInChI=1S/C18H16FN3O3/c19-14-11-21(16-6-3-9-25-16)18(24)22(17(14)23)10-13-8-7-12-4-1-2-5-15(12)20-13/h1-2,4-5,7-8,11,16H,3,6,9-10H2
InChIKeyBZQDRHJZTJSXBO-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.05
Rot. Bonds3

About 5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione

5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 17481424) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID17481424
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccc2ccccc2n1
InChIInChI=1S/C18H16FN3O3/c19-14-11-21(16-6-3-9-25-16)18(24)22(17(14)23)10-13-8-7-12-4-1-2-5-15(12)20-13/h1-2,4-5,7-8,11,16H,3,6,9-10H2
InChIKeyBZQDRHJZTJSXBO-UHFFFAOYSA-N
XLogP2.05
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-chlorophenyl)methyl]-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
CID 911393
5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
CID 24773982
2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate
CID 7131417
5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione
CID 59149455
5-fluoro-3-[(4-hydroxymorpholin-4-ium-4-yl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione
CID 59149405
N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide
CID 17392303
2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41139392
4-amino-2-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]butanoic acid
CID 69456008
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide
CID 17422443
5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione
CID 70585782
1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one
CID 46981331
N-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide
CID 162644518

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione (CID 17481424) is 5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione is O=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccc2ccccc2n1.
What is the InChIKey of 5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is BZQDRHJZTJSXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-14-11-21(16-6-3-9-25-16)18(24)22(17(14)23)10-13-8-7-12-4-1-2-5-15(12)20-13/h1-2,4-5,7-8,11,16H,3,6,9-10H2.
What are the key properties of 5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione?
5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 341.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 17481424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).