3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one

C20H23N5OS — CID 126949951

IUPAC3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCc1nsc(N2CCCC2c2nc3ccccc3c(=O)n2C2CCCC2)n1
InChIInChI=1S/C20H23N5OS/c1-13-21-20(27-23-13)24-12-6-11-17(24)18-22-16-10-5-4-9-15(16)19(26)25(18)14-7-2-3-8-14/h4-5,9-10,14,17H,2-3,6-8,11-12H2,1H3
InChIKeyNQDLKXQMBYZETH-UHFFFAOYSA-N
MW381.51 g/mol
LogP4.01
Rot. Bonds3

About 3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one

3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949951) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126949951
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCc1nsc(N2CCCC2c2nc3ccccc3c(=O)n2C2CCCC2)n1
InChIInChI=1S/C20H23N5OS/c1-13-21-20(27-23-13)24-12-6-11-17(24)18-22-16-10-5-4-9-15(16)19(26)25(18)14-7-2-3-8-14/h4-5,9-10,14,17H,2-3,6-8,11-12H2,1H3
InChIKeyNQDLKXQMBYZETH-UHFFFAOYSA-N
XLogP4.01
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one with MolForge

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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-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one
CID 126949917
6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126949956
3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949935
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-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949944
3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949994
3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949943
3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949996
3-(cyclopropylmethyl)-2-[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949849
3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949969

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one (CID 126949951) is 3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one is Cc1nsc(N2CCCC2c2nc3ccccc3c(=O)n2C2CCCC2)n1.
What is the InChIKey of 3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is NQDLKXQMBYZETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-13-21-20(27-23-13)24-12-6-11-17(24)18-22-16-10-5-4-9-15(16)19(26)25(18)14-7-2-3-8-14/h4-5,9-10,14,17H,2-3,6-8,11-12H2,1H3.
What are the key properties of 3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one?
3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 381.51 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).