3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one

C22H25N5O — CID 126949994

IUPAC3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2Cc2ccnnc2)n1C1CCCC1
InChIInChI=1S/C22H25N5O/c28-22-18-8-3-4-9-19(18)25-21(27(22)17-6-1-2-7-17)20-10-5-13-26(20)15-16-11-12-23-24-14-16/h3-4,8-9,11-12,14,17,20H,1-2,5-7,10,13,15H2
InChIKeyYIHUSUUBOWZRSJ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.64
Rot. Bonds4

About 3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one

3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949994) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126949994
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2Cc2ccnnc2)n1C1CCCC1
InChIInChI=1S/C22H25N5O/c28-22-18-8-3-4-9-19(18)25-21(27(22)17-6-1-2-7-17)20-10-5-13-26(20)15-16-11-12-23-24-14-16/h3-4,8-9,11-12,14,17,20H,1-2,5-7,10,13,15H2
InChIKeyYIHUSUUBOWZRSJ-UHFFFAOYSA-N
XLogP3.64
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-2-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949991
3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949996
3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950022
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-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949969
3-cyclopentyl-2-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949965
3-cyclopentyl-2-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949944
3-cyclopentyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950018
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-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one
CID 126949917
3-methyl-2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949452
3-cyclopentyl-2-[1-(5-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950043

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one (CID 126949994) is 3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one is O=c1c2ccccc2nc(C2CCCN2Cc2ccnnc2)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is YIHUSUUBOWZRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c28-22-18-8-3-4-9-19(18)25-21(27(22)17-6-1-2-7-17)20-10-5-13-26(20)15-16-11-12-23-24-14-16/h3-4,8-9,11-12,14,17,20H,1-2,5-7,10,13,15H2.
What are the key properties of 3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one?
3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 375.48 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).