3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one

C22H24N4O — CID 126949917

IUPAC3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2c2ccncc2)n1C1CCCC1
InChIInChI=1S/C22H24N4O/c27-22-18-8-3-4-9-19(18)24-21(26(22)17-6-1-2-7-17)20-10-5-15-25(20)16-11-13-23-14-12-16/h3-4,8-9,11-14,17,20H,1-2,5-7,10,15H2
InChIKeyLSCOLBGEYZYKII-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.25
Rot. Bonds3

About 3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one

3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one (PubChem CID 126949917) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one
PubChem CID126949917
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2c2ccncc2)n1C1CCCC1
InChIInChI=1S/C22H24N4O/c27-22-18-8-3-4-9-19(18)24-21(26(22)17-6-1-2-7-17)20-10-5-15-25(20)16-11-13-23-14-12-16/h3-4,8-9,11-14,17,20H,1-2,5-7,10,15H2
InChIKeyLSCOLBGEYZYKII-UHFFFAOYSA-N
XLogP4.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-2-[1-(5-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950043
3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949951
6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126949956
3-cyclopentyl-2-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949965
3-cyclopentyl-2-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949991
3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949994
3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950022
3-cyclopentyl-2-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949944
3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949969
3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949887
3-cyclopentyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950018
3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949943

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one (CID 126949917) is 3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one is O=c1c2ccccc2nc(C2CCCN2c2ccncc2)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one?
The InChIKey is LSCOLBGEYZYKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22-18-8-3-4-9-19(18)24-21(26(22)17-6-1-2-7-17)20-10-5-15-25(20)16-11-13-23-14-12-16/h3-4,8-9,11-14,17,20H,1-2,5-7,10,15H2.
What are the key properties of 3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one?
3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one has a molecular weight of 360.46 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one is sourced from PubChem (CID 126949917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).