4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride

C11H7ClN2O3S — CID 87717212

IUPAC4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride
SMILESO=c1[nH]c2ccc(S(=O)(=O)Cl)cc2c2cc[nH]c12
InChIInChI=1S/C11H7ClN2O3S/c12-18(16,17)6-1-2-9-8(5-6)7-3-4-13-10(7)11(15)14-9/h1-5,13H,(H,14,15)
InChIKeyLVZWDQIYFSXISY-UHFFFAOYSA-N
MW282.71 g/mol
LogP1.94
Rot. Bonds1

About 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride

4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride (PubChem CID 87717212) has the molecular formula C11H7ClN2O3S and a molecular weight of 282.71 g/mol. Its IUPAC name is 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride.

Molecular Properties

Compound Name4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride
PubChem CID87717212
Molecular FormulaC11H7ClN2O3S
Molecular Weight282.71 g/mol
Exact Mass281.99
IUPAC Name4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride
SMILESO=c1[nH]c2ccc(S(=O)(=O)Cl)cc2c2cc[nH]c12
InChIInChI=1S/C11H7ClN2O3S/c12-18(16,17)6-1-2-9-8(5-6)7-3-4-13-10(7)11(15)14-9/h1-5,13H,(H,14,15)
InChIKeyLVZWDQIYFSXISY-UHFFFAOYSA-N
XLogP1.94
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride?
The IUPAC name of 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride (CID 87717212) is 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride.
What is the SMILES notation for 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride?
The canonical SMILES for 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride is O=c1[nH]c2ccc(S(=O)(=O)Cl)cc2c2cc[nH]c12.
What is the InChIKey of 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride?
The InChIKey is LVZWDQIYFSXISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3S/c12-18(16,17)6-1-2-9-8(5-6)7-3-4-13-10(7)11(15)14-9/h1-5,13H,(H,14,15).
What are the key properties of 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride?
4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride has a molecular weight of 282.71 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride is sourced from PubChem (CID 87717212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).