3-(2,2-difluoroethyl)-2-(1-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one

C18H17F2N5O — CID 126950143

IUPAC3-(2,2-difluoroethyl)-2-(1-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2c2cnccn2)n1CC(F)F
InChIInChI=1S/C18H17F2N5O/c19-15(20)11-25-17(23-13-5-2-1-4-12(13)18(25)26)14-6-3-9-24(14)16-10-21-7-8-22-16/h1-2,4-5,7-8,10,14-15H,3,6,9,11H2
InChIKeyFMCGJWBSHBCCOB-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.79
Rot. Bonds4

About 3-(2,2-difluoroethyl)-2-(1-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one

3-(2,2-difluoroethyl)-2-(1-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one (PubChem CID 126950143) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-2-(1-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-2-(1-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one
PubChem CID126950143
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name3-(2,2-difluoroethyl)-2-(1-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2c2cnccn2)n1CC(F)F
InChIInChI=1S/C18H17F2N5O/c19-15(20)11-25-17(23-13-5-2-1-4-12(13)18(25)26)14-6-3-9-24(14)16-10-21-7-8-22-16/h1-2,4-5,7-8,10,14-15H,3,6,9,11H2
InChIKeyFMCGJWBSHBCCOB-UHFFFAOYSA-N
XLogP2.79
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)pyrrolidin-2-yl]-3-(2,2-difluoroethyl)quinazolin-4-one
CID 126950388
2-(1-cyclopentylpyrrolidin-2-yl)-3-(2,2-difluoroethyl)quinazolin-4-one
CID 126950162
3-(2,2-difluoroethyl)-2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950199
2-[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-3-(2,2-difluoroethyl)quinazolin-4-one
CID 126950251
2-[1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]-3-(2,2-difluoroethyl)quinazolin-4-one
CID 126950296
2-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-3-(2,2-difluoroethyl)quinazolin-4-one
CID 126950256
3-(2,2-difluoroethyl)-2-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950371
2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950650
3-(2,2-difluoroethyl)-2-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950297
3-(2,2-difluoroethyl)-2-[1-(1,4-dioxepan-6-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950337
3-(2,2-difluoroethyl)-2-[1-(1,2-oxazol-4-ylsulfonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950211
2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950467

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-2-(1-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one?
The IUPAC name of 3-(2,2-difluoroethyl)-2-(1-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one (CID 126950143) is 3-(2,2-difluoroethyl)-2-(1-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one.
What is the SMILES notation for 3-(2,2-difluoroethyl)-2-(1-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one?
The canonical SMILES for 3-(2,2-difluoroethyl)-2-(1-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one is O=c1c2ccccc2nc(C2CCCN2c2cnccn2)n1CC(F)F.
What is the InChIKey of 3-(2,2-difluoroethyl)-2-(1-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one?
The InChIKey is FMCGJWBSHBCCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O/c19-15(20)11-25-17(23-13-5-2-1-4-12(13)18(25)26)14-6-3-9-24(14)16-10-21-7-8-22-16/h1-2,4-5,7-8,10,14-15H,3,6,9,11H2.
What are the key properties of 3-(2,2-difluoroethyl)-2-(1-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one?
3-(2,2-difluoroethyl)-2-(1-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one has a molecular weight of 357.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-2-(1-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one is sourced from PubChem (CID 126950143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).