3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one

C20H21N5O3 — CID 100644820

IUPAC3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C20H21N5O3/c26-19(7-11-25-14-23-17-6-2-1-5-16(17)20(25)27)24-10-3-4-15(13-24)28-18-12-21-8-9-22-18/h1-2,5-6,8-9,12,14-15H,3-4,7,10-11,13H2/t15-/m0/s1
InChIKeyPLEPDCMBVCCIJB-HNNXBMFYSA-N
MW379.42 g/mol
LogP1.65
Rot. Bonds5

About 3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one

3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one (PubChem CID 100644820) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one
PubChem CID100644820
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C20H21N5O3/c26-19(7-11-25-14-23-17-6-2-1-5-16(17)20(25)27)24-10-3-4-15(13-24)28-18-12-21-8-9-22-18/h1-2,5-6,8-9,12,14-15H,3-4,7,10-11,13H2/t15-/m0/s1
InChIKeyPLEPDCMBVCCIJB-HNNXBMFYSA-N
XLogP1.65
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]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-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one
CID 126426727
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 122261218
3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one
CID 71799340
3-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 119397174
2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 91627845
3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 97278686
3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one
CID 121186033
3-[3-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90566265
3-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119623819
2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 91626626

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one?
The IUPAC name of 3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one (CID 100644820) is 3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one?
The canonical SMILES for 3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one is O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@H](Oc2cnccn2)C1.
What is the InChIKey of 3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one?
The InChIKey is PLEPDCMBVCCIJB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-19(7-11-25-14-23-17-6-2-1-5-16(17)20(25)27)24-10-3-4-15(13-24)28-18-12-21-8-9-22-18/h1-2,5-6,8-9,12,14-15H,3-4,7,10-11,13H2/t15-/m0/s1.
What are the key properties of 3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one?
3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one has a molecular weight of 379.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 100644820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).