5-chloro-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one

C12H11ClN2O3S — CID 45232029

IUPAC5-chloro-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one
SMILESO=c1c2c(Cl)cccc2ncn1C1CCS(=O)(=O)C1
InChIInChI=1S/C12H11ClN2O3S/c13-9-2-1-3-10-11(9)12(16)15(7-14-10)8-4-5-19(17,18)6-8/h1-3,7-8H,4-6H2
InChIKeyUFFNSJQEIYLVKI-UHFFFAOYSA-N
MW298.75 g/mol
LogP1.41
Rot. Bonds1

About 5-chloro-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one

5-chloro-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one (PubChem CID 45232029) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is 5-chloro-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one
PubChem CID45232029
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC Name5-chloro-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one
SMILESO=c1c2c(Cl)cccc2ncn1C1CCS(=O)(=O)C1
InChIInChI=1S/C12H11ClN2O3S/c13-9-2-1-3-10-11(9)12(16)15(7-14-10)8-4-5-19(17,18)6-8/h1-3,7-8H,4-6H2
InChIKeyUFFNSJQEIYLVKI-UHFFFAOYSA-N
XLogP1.41
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-3-(1,1-dioxothiolan-3-yl)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-(4-aminocyclohexyl)-5-chloroquinazolin-4-one;hydrochloride
CID 154910405
6-chloro-3-(1,1-dioxothiolan-3-yl)-5-iodopyrimidin-4-one
CID 114583749
5-chloro-3-(1,1-dioxothiolan-3-yl)-1H-quinazoline-2,4-dione
CID 117260913
6-chloro-3-(1,1-dioxothiolan-3-yl)pyrimidin-4-one
CID 114582027
4-chloro-3-(1,1-dioxothiolan-3-yl)-1H-benzimidazol-2-one
CID 117208544
(3S)-3-[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]thiolane 1,1-dioxide
CID 8818286
3-cyclobutylquinazolin-4-one
CID 171781936
7-chloro-1-(1,1-dioxothian-4-yl)benzimidazol-2-amine
CID 43662181
5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117263607
2-(chloromethyl)-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one
CID 61064926
1-(1,1-dioxothian-3-yl)benzimidazole-5-carboxylic acid
CID 63924349
N-[(2,6-dichlorophenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine
CID 97004040

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one?
The IUPAC name of 5-chloro-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one (CID 45232029) is 5-chloro-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one.
What is the SMILES notation for 5-chloro-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one?
The canonical SMILES for 5-chloro-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one is O=c1c2c(Cl)cccc2ncn1C1CCS(=O)(=O)C1.
What is the InChIKey of 5-chloro-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one?
The InChIKey is UFFNSJQEIYLVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c13-9-2-1-3-10-11(9)12(16)15(7-14-10)8-4-5-19(17,18)6-8/h1-3,7-8H,4-6H2.
What are the key properties of 5-chloro-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one?
5-chloro-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one has a molecular weight of 298.75 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one is sourced from PubChem (CID 45232029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).