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

C23H27N5O2 — CID 126949969

IUPAC3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCn1nccc(CN2CCCC2c2nc3ccccc3c(=O)n2C2CCCC2)c1=O
InChIInChI=1S/C23H27N5O2/c1-26-22(29)16(12-13-24-26)15-27-14-6-11-20(27)21-25-19-10-5-4-9-18(19)23(30)28(21)17-7-2-3-8-17/h4-5,9-10,12-13,17,20H,2-3,6-8,11,14-15H2,1H3
InChIKeyNARGVRUBLYUBSK-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.94
Rot. Bonds4

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

3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949969) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126949969
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCn1nccc(CN2CCCC2c2nc3ccccc3c(=O)n2C2CCCC2)c1=O
InChIInChI=1S/C23H27N5O2/c1-26-22(29)16(12-13-24-26)15-27-14-6-11-20(27)21-25-19-10-5-4-9-18(19)23(30)28(21)17-7-2-3-8-17/h4-5,9-10,12-13,17,20H,2-3,6-8,11,14-15H2,1H3
InChIKeyNARGVRUBLYUBSK-UHFFFAOYSA-N
XLogP2.94
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209529
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-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-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950018
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

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one (CID 126949969) is 3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one is Cn1nccc(CN2CCCC2c2nc3ccccc3c(=O)n2C2CCCC2)c1=O.
What is the InChIKey of 3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is NARGVRUBLYUBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-26-22(29)16(12-13-24-26)15-27-14-6-11-20(27)21-25-19-10-5-4-9-18(19)23(30)28(21)17-7-2-3-8-17/h4-5,9-10,12-13,17,20H,2-3,6-8,11,14-15H2,1H3.
What are the key properties of 3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 405.50 g/mol, XLogP of 2.94, 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-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).