3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one

C16H18N2O4S — CID 25498865

IUPAC3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
SMILESC[C@@H]1C[C@@H](Sc2nc3ccccc3c(=O)n2CCCO)C(=O)O1
InChIInChI=1S/C16H18N2O4S/c1-10-9-13(15(21)22-10)23-16-17-12-6-3-2-5-11(12)14(20)18(16)7-4-8-19/h2-3,5-6,10,13,19H,4,7-9H2,1H3/t10-,13-/m1/s1
InChIKeyREVFRDWUKHXSIG-ZWNOBZJWSA-N
MW334.40 g/mol
LogP1.58
Rot. Bonds5

About 3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one

3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one (PubChem CID 25498865) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
PubChem CID25498865
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
SMILESC[C@@H]1C[C@@H](Sc2nc3ccccc3c(=O)n2CCCO)C(=O)O1
InChIInChI=1S/C16H18N2O4S/c1-10-9-13(15(21)22-10)23-16-17-12-6-3-2-5-11(12)14(20)18(16)7-4-8-19/h2-3,5-6,10,13,19H,4,7-9H2,1H3/t10-,13-/m1/s1
InChIKeyREVFRDWUKHXSIG-ZWNOBZJWSA-N
XLogP1.58
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one with MolForge

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Related Compounds

3-(3-hydroxypropyl)-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 47095161
2-butylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 78815225
2-benzylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 4825111
3-butyl-2-(4-hydroxybutylsulfanyl)quinazolin-4-one
CID 110931344
3-(3-hydroxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 18083124
2-[(3R)-1-(4-fluorobenzoyl)-2-oxoazepan-3-yl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 31277464
3-(3-hydroxypropyl)-2-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylquinazolin-4-one
CID 135784472
3-(3-hydroxypropyl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 42982420
3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 111462825
N-cycloheptyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4822867
2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one
CID 110931345
3-(3-hydroxypropyl)-2-(2-pyrazol-1-ylethylsulfanyl)quinazolin-4-one
CID 110902275

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one?
The IUPAC name of 3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one (CID 25498865) is 3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one is C[C@@H]1C[C@@H](Sc2nc3ccccc3c(=O)n2CCCO)C(=O)O1.
What is the InChIKey of 3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one?
The InChIKey is REVFRDWUKHXSIG-ZWNOBZJWSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-10-9-13(15(21)22-10)23-16-17-12-6-3-2-5-11(12)14(20)18(16)7-4-8-19/h2-3,5-6,10,13,19H,4,7-9H2,1H3/t10-,13-/m1/s1.
What are the key properties of 3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one?
3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one has a molecular weight of 334.40 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-2-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylquinazolin-4-one is sourced from PubChem (CID 25498865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).