8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride

C15H16ClN3O2S — CID 146468960

IUPAC8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride
SMILESCl.O=S(=O)(c1cccc2cccnc12)N1CC2=CNCC2C1
InChIInChI=1S/C15H15N3O2S.ClH/c19-21(20,18-9-12-7-16-8-13(12)10-18)14-5-1-3-11-4-2-6-17-15(11)14;/h1-7,13,16H,8-10H2;1H
InChIKeyMKCLTURDKOCPRN-UHFFFAOYSA-N
MW337.83 g/mol
LogP1.76
Rot. Bonds2

About 8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride

8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride (PubChem CID 146468960) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride.

Molecular Properties

Compound Name8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride
PubChem CID146468960
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride
SMILESCl.O=S(=O)(c1cccc2cccnc12)N1CC2=CNCC2C1
InChIInChI=1S/C15H15N3O2S.ClH/c19-21(20,18-9-12-7-16-8-13(12)10-18)14-5-1-3-11-4-2-6-17-15(11)14;/h1-7,13,16H,8-10H2;1H
InChIKeyMKCLTURDKOCPRN-UHFFFAOYSA-N
XLogP1.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride with MolForge

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Related Compounds

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CID 4173018
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CID 119962398
8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline
CID 91946901
8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline
CID 171701848
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524
8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline
CID 121188658
N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
CID 119977492
1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one
CID 126945683
3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991977
1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carbonitrile
CID 126900569

Frequently Asked Questions

What is the IUPAC name of 8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride?
The IUPAC name of 8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride (CID 146468960) is 8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride.
What is the SMILES notation for 8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride?
The canonical SMILES for 8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride is Cl.O=S(=O)(c1cccc2cccnc12)N1CC2=CNCC2C1.
What is the InChIKey of 8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride?
The InChIKey is MKCLTURDKOCPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S.ClH/c19-21(20,18-9-12-7-16-8-13(12)10-18)14-5-1-3-11-4-2-6-17-15(11)14;/h1-7,13,16H,8-10H2;1H.
What are the key properties of 8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride?
8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride has a molecular weight of 337.83 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride is sourced from PubChem (CID 146468960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).