7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione

C12H11ClN2O2S — CID 117261485

IUPAC7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(Cl)ccc2c(=O)n1C1CCSC1
InChIInChI=1S/C12H11ClN2O2S/c13-7-1-2-9-10(5-7)14-12(17)15(11(9)16)8-3-4-18-6-8/h1-2,5,8H,3-4,6H2,(H,14,17)
InChIKeyPZLVSRDJIQAMGB-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.02
Rot. Bonds1

About 7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione

7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione (PubChem CID 117261485) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione
PubChem CID117261485
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(Cl)ccc2c(=O)n1C1CCSC1
InChIInChI=1S/C12H11ClN2O2S/c13-7-1-2-9-10(5-7)14-12(17)15(11(9)16)8-3-4-18-6-8/h1-2,5,8H,3-4,6H2,(H,14,17)
InChIKeyPZLVSRDJIQAMGB-UHFFFAOYSA-N
XLogP2.02
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261525
6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione
CID 117261427
6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117207033
3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261706
6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione
CID 117261221
6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261256
5-(3-bromophenyl)-6-chloro-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione
CID 103065579
4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117208560
6-chloro-5-cyclopentyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione
CID 103065568
3-(thiolan-3-yl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261758
3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716
5-methoxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117207767

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione (CID 117261485) is 7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(Cl)ccc2c(=O)n1C1CCSC1.
What is the InChIKey of 7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione?
The InChIKey is PZLVSRDJIQAMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-7-1-2-9-10(5-7)14-12(17)15(11(9)16)8-3-4-18-6-8/h1-2,5,8H,3-4,6H2,(H,14,17).
What are the key properties of 7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione?
7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione has a molecular weight of 282.75 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).