3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one

C20H20FN5O3 — CID 119100452

IUPAC3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCCc1ncnc(OC2CCN(C(=O)Cn3cnc4ccccc4c3=O)C2)c1F
InChIInChI=1S/C20H20FN5O3/c1-2-15-18(21)19(23-11-22-15)29-13-7-8-25(9-13)17(27)10-26-12-24-16-6-4-3-5-14(16)20(26)28/h3-6,11-13H,2,7-10H2,1H3
InChIKeyIMRVMYANVJGPCJ-UHFFFAOYSA-N
MW397.41 g/mol
LogP1.57
Rot. Bonds5

About 3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one

3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 119100452) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is 3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID119100452
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCCc1ncnc(OC2CCN(C(=O)Cn3cnc4ccccc4c3=O)C2)c1F
InChIInChI=1S/C20H20FN5O3/c1-2-15-18(21)19(23-11-22-15)29-13-7-8-25(9-13)17(27)10-26-12-24-16-6-4-3-5-14(16)20(26)28/h3-6,11-13H,2,7-10H2,1H3
InChIKeyIMRVMYANVJGPCJ-UHFFFAOYSA-N
XLogP1.57
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one with MolForge

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Related Compounds

3-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 100756593
1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrrol-1-ylethanone
CID 129354811
3-[2-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 119100380
1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 121017693
1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 129355507
2-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121017722
N-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 124727920
1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-methoxyethanone
CID 91815903
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
CID 124727939
ethyl (3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 124891806
[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 124760622
2-cyclopentylsulfanyl-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
CID 119100438

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one (CID 119100452) is 3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one is CCc1ncnc(OC2CCN(C(=O)Cn3cnc4ccccc4c3=O)C2)c1F.
What is the InChIKey of 3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is IMRVMYANVJGPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-2-15-18(21)19(23-11-22-15)29-13-7-8-25(9-13)17(27)10-26-12-24-16-6-4-3-5-14(16)20(26)28/h3-6,11-13H,2,7-10H2,1H3.
What are the key properties of 3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one?
3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 397.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 119100452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).