3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one

C24H28N4O2 — CID 126949996

IUPAC3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCn1cc(CN2CCCC2c2nc3ccccc3c(=O)n2C2CCCC2)ccc1=O
InChIInChI=1S/C24H28N4O2/c1-26-15-17(12-13-22(26)29)16-27-14-6-11-21(27)23-25-20-10-5-4-9-19(20)24(30)28(23)18-7-2-3-8-18/h4-5,9-10,12-13,15,18,21H,2-3,6-8,11,14,16H2,1H3
InChIKeyAHDWFKSGJKHYCV-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.55
Rot. Bonds4

About 3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one

3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949996) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126949996
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCn1cc(CN2CCCC2c2nc3ccccc3c(=O)n2C2CCCC2)ccc1=O
InChIInChI=1S/C24H28N4O2/c1-26-15-17(12-13-22(26)29)16-27-14-6-11-21(27)23-25-20-10-5-4-9-19(20)24(30)28(23)18-7-2-3-8-18/h4-5,9-10,12-13,15,18,21H,2-3,6-8,11,14,16H2,1H3
InChIKeyAHDWFKSGJKHYCV-UHFFFAOYSA-N
XLogP3.55
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949462
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-[(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-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950022
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-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949944
3-methyl-2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949452
3-methyl-2-[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949438

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one (CID 126949996) is 3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one is Cn1cc(CN2CCCC2c2nc3ccccc3c(=O)n2C2CCCC2)ccc1=O.
What is the InChIKey of 3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is AHDWFKSGJKHYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-26-15-17(12-13-22(26)29)16-27-14-6-11-21(27)23-25-20-10-5-4-9-19(20)24(30)28(23)18-7-2-3-8-18/h4-5,9-10,12-13,15,18,21H,2-3,6-8,11,14,16H2,1H3.
What are the key properties of 3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 404.51 g/mol, XLogP of 3.55, 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-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).