3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one

C20H21N5O4 — CID 122261218

IUPAC3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCOc1nccc(OC2CCCN(C(=O)Cn3cnc4ccccc4c3=O)C2)n1
InChIInChI=1S/C20H21N5O4/c1-28-20-21-9-8-17(23-20)29-14-5-4-10-24(11-14)18(26)12-25-13-22-16-7-3-2-6-15(16)19(25)27/h2-3,6-9,13-14H,4-5,10-12H2,1H3
InChIKeyMYGGWPXRKRCJEQ-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.27
Rot. Bonds5

About 3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one

3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 122261218) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID122261218
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCOc1nccc(OC2CCCN(C(=O)Cn3cnc4ccccc4c3=O)C2)n1
InChIInChI=1S/C20H21N5O4/c1-28-20-21-9-8-17(23-20)29-14-5-4-10-24(11-14)18(26)12-25-13-22-16-7-3-2-6-15(16)19(25)27/h2-3,6-9,13-14H,4-5,10-12H2,1H3
InChIKeyMYGGWPXRKRCJEQ-UHFFFAOYSA-N
XLogP1.27
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one with MolForge

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Related Compounds

3-[2-oxo-2-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethyl]quinazolin-4-one
CID 100644880
3-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 100756593
2-(1H-indol-3-yl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261208
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
CID 122261520
2-cyclopentylsulfanyl-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261170
3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one
CID 100644820
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563
3-[2-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 119100380
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one (CID 122261218) is 3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one is COc1nccc(OC2CCCN(C(=O)Cn3cnc4ccccc4c3=O)C2)n1.
What is the InChIKey of 3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is MYGGWPXRKRCJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-28-20-21-9-8-17(23-20)29-14-5-4-10-24(11-14)18(26)12-25-13-22-16-7-3-2-6-15(16)19(25)27/h2-3,6-9,13-14H,4-5,10-12H2,1H3.
What are the key properties of 3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one?
3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 395.42 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 122261218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).