9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride

C11H9ClN2O3S — CID 129451720

IUPAC9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride
SMILESO=c1c2ccc(S(=O)(=O)Cl)cc2nc2n1CCC2
InChIInChI=1S/C11H9ClN2O3S/c12-18(16,17)7-3-4-8-9(6-7)13-10-2-1-5-14(10)11(8)15/h3-4,6H,1-2,5H2
InChIKeyOFAUBBMZZGOJJB-UHFFFAOYSA-N
MW284.72 g/mol
LogP1.27
Rot. Bonds1

About 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride

9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride (PubChem CID 129451720) has the molecular formula C11H9ClN2O3S and a molecular weight of 284.72 g/mol. Its IUPAC name is 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride.

Molecular Properties

Compound Name9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride
PubChem CID129451720
Molecular FormulaC11H9ClN2O3S
Molecular Weight284.72 g/mol
Exact Mass284.00
IUPAC Name9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride
SMILESO=c1c2ccc(S(=O)(=O)Cl)cc2nc2n1CCC2
InChIInChI=1S/C11H9ClN2O3S/c12-18(16,17)7-3-4-8-9(6-7)13-10-2-1-5-14(10)11(8)15/h3-4,6H,1-2,5H2
InChIKeyOFAUBBMZZGOJJB-UHFFFAOYSA-N
XLogP1.27
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbonyl chloride
CID 58574486
7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195
6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 58574855
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 26084892
3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 2099778
N'-(3-chlorobenzoyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide
CID 24979555
N-(4-ethylsulfonylphenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 16604133
ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride
CID 13171282
6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 156572829
N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 26069996
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 42906294
N-(4-acetamidophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 26718308

Frequently Asked Questions

What is the IUPAC name of 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride?
The IUPAC name of 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride (CID 129451720) is 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride.
What is the SMILES notation for 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride?
The canonical SMILES for 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride is O=c1c2ccc(S(=O)(=O)Cl)cc2nc2n1CCC2.
What is the InChIKey of 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride?
The InChIKey is OFAUBBMZZGOJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3S/c12-18(16,17)7-3-4-8-9(6-7)13-10-2-1-5-14(10)11(8)15/h3-4,6H,1-2,5H2.
What are the key properties of 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride?
9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride has a molecular weight of 284.72 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride is sourced from PubChem (CID 129451720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).