2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one

C15H14N2O3S — CID 9407521

IUPAC2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one
SMILESC=CCn1c(S[C@@H]2CCOC2=O)nc2ccccc2c1=O
InChIInChI=1S/C15H14N2O3S/c1-2-8-17-13(18)10-5-3-4-6-11(10)16-15(17)21-12-7-9-20-14(12)19/h2-6,12H,1,7-9H2/t12-/m1/s1
InChIKeyAFXQFQYNOJPBDS-GFCCVEGCSA-N
MW302.36 g/mol
LogP1.99
Rot. Bonds4

About 2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one

2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one (PubChem CID 9407521) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one.

Molecular Properties

Compound Name2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one
PubChem CID9407521
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one
SMILESC=CCn1c(S[C@@H]2CCOC2=O)nc2ccccc2c1=O
InChIInChI=1S/C15H14N2O3S/c1-2-8-17-13(18)10-5-3-4-6-11(10)16-15(17)21-12-7-9-20-14(12)19/h2-6,12H,1,7-9H2/t12-/m1/s1
InChIKeyAFXQFQYNOJPBDS-GFCCVEGCSA-N
XLogP1.99
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(oxolan-2-ylmethylsulfanyl)-3-prop-2-enylquinazolin-4-one
CID 78761732
3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one
CID 42898564
(3R)-3-(1-benzylbenzimidazol-2-yl)sulfanyloxolan-2-one
CID 975976
3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 23826057
3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 17425100
1-(1H-indol-6-yl)-3-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 19058109
5,6-dimethyl-2-[(3S)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 784108
3-[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one
CID 36562761
3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
CID 7419018
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 4845825
3-(4-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 42884625
3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 23936645

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one?
The IUPAC name of 2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one (CID 9407521) is 2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one.
What is the SMILES notation for 2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one?
The canonical SMILES for 2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one is C=CCn1c(S[C@@H]2CCOC2=O)nc2ccccc2c1=O.
What is the InChIKey of 2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one?
The InChIKey is AFXQFQYNOJPBDS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-2-8-17-13(18)10-5-3-4-6-11(10)16-15(17)21-12-7-9-20-14(12)19/h2-6,12H,1,7-9H2/t12-/m1/s1.
What are the key properties of 2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one?
2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one has a molecular weight of 302.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one is sourced from PubChem (CID 9407521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).