3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one

C21H23N5O2 — CID 126949887

IUPAC3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESO=C(c1cnc[nH]1)N1CCCC1c1nc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C21H23N5O2/c27-20-15-8-3-4-9-16(15)24-19(26(20)14-6-1-2-7-14)18-10-5-11-25(18)21(28)17-12-22-13-23-17/h3-4,8-9,12-14,18H,1-2,5-7,10-11H2,(H,22,23)
InChIKeyKIFUEZGAJDFVHC-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.21
Rot. Bonds3

About 3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one

3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949887) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126949887
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESO=C(c1cnc[nH]1)N1CCCC1c1nc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C21H23N5O2/c27-20-15-8-3-4-9-16(15)24-19(26(20)14-6-1-2-7-14)18-10-5-11-25(18)21(28)17-12-22-13-23-17/h3-4,8-9,12-14,18H,1-2,5-7,10-11H2,(H,22,23)
InChIKeyKIFUEZGAJDFVHC-UHFFFAOYSA-N
XLogP3.21
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951142
3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one
CID 126949917
3-cyclopentyl-2-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949991
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950695
3-cyclopentyl-2-[1-(5-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950043
3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949994
3-cyclopentyl-2-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949965
3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950746
3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949951
3-methyl-2-[1-(1-methyltriazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949236
6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126949956
2-[1-(6-oxo-1H-pyrimidine-4-carbonyl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 137209711

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one (CID 126949887) is 3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one is O=C(c1cnc[nH]1)N1CCCC1c1nc2ccccc2c(=O)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is KIFUEZGAJDFVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-20-15-8-3-4-9-16(15)24-19(26(20)14-6-1-2-7-14)18-10-5-11-25(18)21(28)17-12-22-13-23-17/h3-4,8-9,12-14,18H,1-2,5-7,10-11H2,(H,22,23).
What are the key properties of 3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 377.45 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).