2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one

C20H22N4O3S — CID 126951015

IUPAC2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2c2nc3c(s2)COCC3)n1CCO
InChIInChI=1S/C20H22N4O3S/c25-10-9-24-18(21-14-5-2-1-4-13(14)19(24)26)16-6-3-8-23(16)20-22-15-7-11-27-12-17(15)28-20/h1-2,4-5,16,25H,3,6-12H2
InChIKeyQFAHXXZQPQGDLJ-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.26
Rot. Bonds4

About 2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one

2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one (PubChem CID 126951015) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
PubChem CID126951015
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2c2nc3c(s2)COCC3)n1CCO
InChIInChI=1S/C20H22N4O3S/c25-10-9-24-18(21-14-5-2-1-4-13(14)19(24)26)16-6-3-8-23(16)20-22-15-7-11-27-12-17(15)28-20/h1-2,4-5,16,25H,3,6-12H2
InChIKeyQFAHXXZQPQGDLJ-UHFFFAOYSA-N
XLogP2.26
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)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-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951068
2-[1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950967
3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951022
3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one
CID 126950782
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950695
3-(2-hydroxyethyl)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126951032
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
3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950746
3-(2-hydroxyethyl)-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950879
3-(2-hydroxyethyl)-2-[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951073
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The IUPAC name of 2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one (CID 126951015) is 2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one.
What is the SMILES notation for 2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The canonical SMILES for 2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one is O=c1c2ccccc2nc(C2CCCN2c2nc3c(s2)COCC3)n1CCO.
What is the InChIKey of 2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The InChIKey is QFAHXXZQPQGDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-10-9-24-18(21-14-5-2-1-4-13(14)19(24)26)16-6-3-8-23(16)20-22-15-7-11-27-12-17(15)28-20/h1-2,4-5,16,25H,3,6-12H2.
What are the key properties of 2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one has a molecular weight of 398.49 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one is sourced from PubChem (CID 126951015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).