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

C19H23F2N3O — CID 126950162

IUPAC2-(1-cyclopentylpyrrolidin-2-yl)-3-(2,2-difluoroethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2C2CCCC2)n1CC(F)F
InChIInChI=1S/C19H23F2N3O/c20-17(21)12-24-18(22-15-9-4-3-8-14(15)19(24)25)16-10-5-11-23(16)13-6-1-2-7-13/h3-4,8-9,13,16-17H,1-2,5-7,10-12H2
InChIKeySAIWMLURRFMIAJ-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.74
Rot. Bonds4

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

2-(1-cyclopentylpyrrolidin-2-yl)-3-(2,2-difluoroethyl)quinazolin-4-one (PubChem CID 126950162) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrrolidin-2-yl)-3-(2,2-difluoroethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(1-cyclopentylpyrrolidin-2-yl)-3-(2,2-difluoroethyl)quinazolin-4-one
PubChem CID126950162
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name2-(1-cyclopentylpyrrolidin-2-yl)-3-(2,2-difluoroethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2C2CCCC2)n1CC(F)F
InChIInChI=1S/C19H23F2N3O/c20-17(21)12-24-18(22-15-9-4-3-8-14(15)19(24)25)16-10-5-11-23(16)13-6-1-2-7-13/h3-4,8-9,13,16-17H,1-2,5-7,10-12H2
InChIKeySAIWMLURRFMIAJ-UHFFFAOYSA-N
XLogP3.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-pyrazin-2-ylpyrrolidin-2-yl)quinazolin-4-one
CID 126950143
2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)pyrrolidin-2-yl]-3-(2,2-difluoroethyl)quinazolin-4-one
CID 126950388
3-(2,2-difluoroethyl)-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950183
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
3-(2,2-difluoroethyl)-2-[1-(1,2-oxazol-4-ylsulfonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950211
3-(2,2-difluoroethyl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950171
2-[1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]-3-(2,2-difluoroethyl)quinazolin-4-one
CID 126950296
3-(2,2-difluoroethyl)-2-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950322
3-(2,2-difluoroethyl)-2-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950114
2-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-3-(2,2-difluoroethyl)quinazolin-4-one
CID 126950256

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrrolidin-2-yl)-3-(2,2-difluoroethyl)quinazolin-4-one?
The IUPAC name of 2-(1-cyclopentylpyrrolidin-2-yl)-3-(2,2-difluoroethyl)quinazolin-4-one (CID 126950162) is 2-(1-cyclopentylpyrrolidin-2-yl)-3-(2,2-difluoroethyl)quinazolin-4-one.
What is the SMILES notation for 2-(1-cyclopentylpyrrolidin-2-yl)-3-(2,2-difluoroethyl)quinazolin-4-one?
The canonical SMILES for 2-(1-cyclopentylpyrrolidin-2-yl)-3-(2,2-difluoroethyl)quinazolin-4-one is O=c1c2ccccc2nc(C2CCCN2C2CCCC2)n1CC(F)F.
What is the InChIKey of 2-(1-cyclopentylpyrrolidin-2-yl)-3-(2,2-difluoroethyl)quinazolin-4-one?
The InChIKey is SAIWMLURRFMIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c20-17(21)12-24-18(22-15-9-4-3-8-14(15)19(24)25)16-10-5-11-23(16)13-6-1-2-7-13/h3-4,8-9,13,16-17H,1-2,5-7,10-12H2.
What are the key properties of 2-(1-cyclopentylpyrrolidin-2-yl)-3-(2,2-difluoroethyl)quinazolin-4-one?
2-(1-cyclopentylpyrrolidin-2-yl)-3-(2,2-difluoroethyl)quinazolin-4-one has a molecular weight of 347.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrrolidin-2-yl)-3-(2,2-difluoroethyl)quinazolin-4-one is sourced from PubChem (CID 126950162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).