3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one

C20H22N4O3S — CID 126951128

IUPAC3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2C(=O)c2csc(C)n2)nc2ccccc2c1=O
InChIInChI=1S/C20H22N4O3S/c1-13-21-16(12-28-13)20(26)23-9-5-8-17(23)18-22-15-7-4-3-6-14(15)19(25)24(18)10-11-27-2/h3-4,6-7,12,17H,5,8-11H2,1-2H3
InChIKeyGFCMICITBUHCQH-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.79
Rot. Bonds5

About 3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one

3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126951128) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126951128
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2C(=O)c2csc(C)n2)nc2ccccc2c1=O
InChIInChI=1S/C20H22N4O3S/c1-13-21-16(12-28-13)20(26)23-9-5-8-17(23)18-22-15-7-4-3-6-14(15)19(25)24(18)10-11-27-2/h3-4,6-7,12,17H,5,8-11H2,1-2H3
InChIKeyGFCMICITBUHCQH-UHFFFAOYSA-N
XLogP2.79
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951110
2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951142
3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951136
2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951131
3-(2-methoxyethyl)-2-[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951121
3-(2-hydroxyethyl)-2-[1-(2-methoxyethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950815
3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951223
3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950746
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950695
2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one
CID 126951219
2-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950700
3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951198

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one (CID 126951128) is 3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one is COCCn1c(C2CCCN2C(=O)c2csc(C)n2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is GFCMICITBUHCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-13-21-16(12-28-13)20(26)23-9-5-8-17(23)18-22-15-7-4-3-6-14(15)19(25)24(18)10-11-27-2/h3-4,6-7,12,17H,5,8-11H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 398.49 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126951128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).