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

C21H26N6O — CID 126949943

IUPAC3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCn1cnnc1CN1CCCC1c1nc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C21H26N6O/c1-25-14-22-24-19(25)13-26-12-6-11-18(26)20-23-17-10-5-4-9-16(17)21(28)27(20)15-7-2-3-8-15/h4-5,9-10,14-15,18H,2-3,6-8,11-13H2,1H3
InChIKeyNBZRISWJITZJNQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.98
Rot. Bonds4

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

3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949943) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126949943
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCn1cnnc1CN1CCCC1c1nc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C21H26N6O/c1-25-14-22-24-19(25)13-26-12-6-11-18(26)20-23-17-10-5-4-9-16(17)21(28)27(20)15-7-2-3-8-15/h4-5,9-10,14-15,18H,2-3,6-8,11-13H2,1H3
InChIKeyNBZRISWJITZJNQ-UHFFFAOYSA-N
XLogP2.98
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(2,2-difluoroethyl)-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950183
3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949996
3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949994
3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949969
3-cyclopentyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950018
3-cyclopentyl-2-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949991
3-cyclopentyl-2-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949965
3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950022
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-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949944
3-methyl-2-[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949612
3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949440

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one (CID 126949943) is 3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one is Cn1cnnc1CN1CCCC1c1nc2ccccc2c(=O)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is NBZRISWJITZJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-25-14-22-24-19(25)13-26-12-6-11-18(26)20-23-17-10-5-4-9-16(17)21(28)27(20)15-7-2-3-8-15/h4-5,9-10,14-15,18H,2-3,6-8,11-13H2,1H3.
What are the key properties of 3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 378.48 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).