3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one

C16H12N2O2S2 — CID 4781341

IUPAC3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C16H12N2O2S2/c19-16-13(7-8-20-16)22-15-10-4-1-2-5-11(10)17-14(18-15)12-6-3-9-21-12/h1-6,9,13H,7-8H2
InChIKeyYQEXULWOYXYGRX-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.77
Rot. Bonds3

About 3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one

3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one (PubChem CID 4781341) has the molecular formula C16H12N2O2S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one.

Molecular Properties

Compound Name3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one
PubChem CID4781341
Molecular FormulaC16H12N2O2S2
Molecular Weight328.42 g/mol
Exact Mass328.03
IUPAC Name3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C16H12N2O2S2/c19-16-13(7-8-20-16)22-15-10-4-1-2-5-11(10)17-14(18-15)12-6-3-9-21-12/h1-6,9,13H,7-8H2
InChIKeyYQEXULWOYXYGRX-UHFFFAOYSA-N
XLogP3.77
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-(2-methylquinazolin-4-yl)sulfanyloxolan-2-one
CID 7145391
(3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one
CID 35501475
(3S)-3-thieno[3,2-d]pyrimidin-4-ylsulfanyloxolan-2-one
CID 34244436
3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one
CID 42898564
1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanone
CID 4786666
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide
CID 9268004
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide
CID 24530271
4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline
CID 166179640
1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one
CID 7606641
3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one
CID 2948558
(3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one
CID 2304233
3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one
CID 166237006

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one?
The IUPAC name of 3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one (CID 4781341) is 3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one.
What is the SMILES notation for 3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one?
The canonical SMILES for 3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one is O=C1OCCC1Sc1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of 3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one?
The InChIKey is YQEXULWOYXYGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S2/c19-16-13(7-8-20-16)22-15-10-4-1-2-5-11(10)17-14(18-15)12-6-3-9-21-12/h1-6,9,13H,7-8H2.
What are the key properties of 3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one?
3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one has a molecular weight of 328.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one is sourced from PubChem (CID 4781341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).