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

C19H19N5O3 — CID 126950746

IUPAC3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESO=C(c1ncccn1)N1CCCC1c1nc2ccccc2c(=O)n1CCO
InChIInChI=1S/C19H19N5O3/c25-12-11-24-17(22-14-6-2-1-5-13(14)18(24)26)15-7-3-10-23(15)19(27)16-20-8-4-9-21-16/h1-2,4-6,8-9,15,25H,3,7,10-12H2
InChIKeySBRUNRZPZWIORH-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.16
Rot. Bonds4

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

3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126950746) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126950746
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESO=C(c1ncccn1)N1CCCC1c1nc2ccccc2c(=O)n1CCO
InChIInChI=1S/C19H19N5O3/c25-12-11-24-17(22-14-6-2-1-5-13(14)18(24)26)15-7-3-10-23(15)19(27)16-20-8-4-9-21-16/h1-2,4-6,8-9,15,25H,3,7,10-12H2
InChIKeySBRUNRZPZWIORH-UHFFFAOYSA-N
XLogP1.16
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950695
2-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950700
3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950734
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-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950790
3-(2-hydroxyethyl)-2-[1-(2-methoxyethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950815
3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951136
3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one
CID 126950782
2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951142
3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951110
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one (CID 126950746) is 3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one is O=C(c1ncccn1)N1CCCC1c1nc2ccccc2c(=O)n1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is SBRUNRZPZWIORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-12-11-24-17(22-14-6-2-1-5-13(14)18(24)26)15-7-3-10-23(15)19(27)16-20-8-4-9-21-16/h1-2,4-6,8-9,15,25H,3,7,10-12H2.
What are the key properties of 3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 365.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126950746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).