2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one

C20H25N3O3 — CID 126950695

IUPAC2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=C(C1CCCC1)N1CCCC1c1nc2ccccc2c(=O)n1CCO
InChIInChI=1S/C20H25N3O3/c24-13-12-23-18(21-16-9-4-3-8-15(16)20(23)26)17-10-5-11-22(17)19(25)14-6-1-2-7-14/h3-4,8-9,14,17,24H,1-2,5-7,10-13H2
InChIKeyCKVKDRBGVJQBPE-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.24
Rot. Bonds4

About 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one

2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one (PubChem CID 126950695) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
PubChem CID126950695
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=C(C1CCCC1)N1CCCC1c1nc2ccccc2c(=O)n1CCO
InChIInChI=1S/C20H25N3O3/c24-13-12-23-18(21-16-9-4-3-8-15(16)20(23)26)17-10-5-11-22(17)19(25)14-6-1-2-7-14/h3-4,8-9,14,17,24H,1-2,5-7,10-13H2
InChIKeyCKVKDRBGVJQBPE-UHFFFAOYSA-N
XLogP2.24
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)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-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950746
3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950734
2-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950700
3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951068
3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951022
3-(2-hydroxyethyl)-2-[1-(2-methoxyethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950815
3-(2-hydroxyethyl)-2-[1-[(1-methyl-6-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950898
3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one
CID 126950782
3-(2-hydroxyethyl)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126951032
2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951142
3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951094
2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950890

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The IUPAC name of 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one (CID 126950695) is 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one.
What is the SMILES notation for 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The canonical SMILES for 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one is O=C(C1CCCC1)N1CCCC1c1nc2ccccc2c(=O)n1CCO.
What is the InChIKey of 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The InChIKey is CKVKDRBGVJQBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-13-12-23-18(21-16-9-4-3-8-15(16)20(23)26)17-10-5-11-22(17)19(25)14-6-1-2-7-14/h3-4,8-9,14,17,24H,1-2,5-7,10-13H2.
What are the key properties of 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one has a molecular weight of 355.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one is sourced from PubChem (CID 126950695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).