4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride

C11H11ClN2O3S — CID 129451497

IUPAC4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride
SMILESCC(C)n1cnc2c(S(=O)(=O)Cl)cccc2c1=O
InChIInChI=1S/C11H11ClN2O3S/c1-7(2)14-6-13-10-8(11(14)15)4-3-5-9(10)18(12,16)17/h3-7H,1-2H3
InChIKeyLWSFVMODBOKAPT-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.90
Rot. Bonds2

About 4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride

4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride (PubChem CID 129451497) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride.

Molecular Properties

Compound Name4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride
PubChem CID129451497
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride
SMILESCC(C)n1cnc2c(S(=O)(=O)Cl)cccc2c1=O
InChIInChI=1S/C11H11ClN2O3S/c1-7(2)14-6-13-10-8(11(14)15)4-3-5-9(10)18(12,16)17/h3-7H,1-2H3
InChIKeyLWSFVMODBOKAPT-UHFFFAOYSA-N
XLogP1.90
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride?
The IUPAC name of 4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride (CID 129451497) is 4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride.
What is the SMILES notation for 4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride?
The canonical SMILES for 4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride is CC(C)n1cnc2c(S(=O)(=O)Cl)cccc2c1=O.
What is the InChIKey of 4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride?
The InChIKey is LWSFVMODBOKAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c1-7(2)14-6-13-10-8(11(14)15)4-3-5-9(10)18(12,16)17/h3-7H,1-2H3.
What are the key properties of 4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride?
4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride has a molecular weight of 286.74 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride is sourced from PubChem (CID 129451497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).